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(3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid structure
Fine Chemical

(3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

TL;DR: (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid (CAS 956523-14-1) is a chemical compound with molecular formula C14H14N2O4 and molecular weight 274.09537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

Also Known As: (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid, 6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

CAS Number
956523-14-1
Molecular Formula
C14H14N2O4
Molecular Weight
274.09537 g/mol
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Technical Specifications

Molecular FormulaC14H14N2O4
Molecular Weight274.09537 g/mol
XLogP2.7
Topological Polar Surface Area (TPSA)95.2 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors5
Rotatable Bonds1
Exact Mass274.09537 Da
Heavy Atoms20
Complexity459.0
SMILESCC1=C(C=CC2=C1NC(C3C2C=CC3)C(=O)O)[N+](=O)[O-]
InChIKeyKXGBLGQACSLGDU-UHFFFAOYSA-N

Chemical Property Profile of (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

XLogP
2.7
TPSA (Topological Polar Surface Area)
95.2
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
1
Heavy Atoms
20
Complexity
459.0
Exact Mass
274.09537
Monoisotopic Mass
274.09537
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid

The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid. Following Lipinski's Rule of Five, (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?

The CAS number of (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is 956523-14-1.

What is the molecular formula of (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?

The molecular formula of (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is C14H14N2O4.

What is the molecular weight of (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?

The molecular weight of (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid is 274.09537 g/mol.

Where can I buy (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?

You can request a quote for (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid?

Yes, CoreyChem provides custom synthesis services for (3aR,4S,9bS)-6-methyl-7-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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