ChemDiv1_009445
TL;DR: ChemDiv1_009445 (CAS 421573-80-0) is a chemical compound with molecular formula C27H33N3O2S2 and molecular weight 495.20142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-2,7,7-trimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Also Known As: SALOR-INT L219657-1EA, 4-[5-ETHYL-2-(ETHYLSULFANYL)-3-THIENYL]-2,7,7-TRIMETHYL-N-(5-METHYL-2-PYRIDINYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE, 4-(5-ethyl-2-(ethylthio)thiophen-3-yl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide, 4-(5-ETHYL-2-(ETHYLSULFANYL)-3-THIENYL)-2,7,7-TRIMETHYL-N-(5-METHYL-2-PYRIDINYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXAMIDE, 4-(5-ethyl-2-ethylsulfanylthiophen-3-yl)-2,7,7-trimethyl-N-(5-methylpyridin-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Technical Specifications
| Molecular Formula | C27H33N3O2S2 |
| Molecular Weight | 495.20142 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.20142 Da |
| Heavy Atoms | 34 |
| Complexity | 881.0 |
| SMILES | CCC1=CC(=C(S1)SCC)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=NC=C(C=C4)C)C |
| InChIKey | XBXUPOQICRGRQC-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv1_009445
Property Insights of ChemDiv1_009445
The XLogP value of 5.6 indicates that ChemDiv1_009445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009445. Following Lipinski's Rule of Five, ChemDiv1_009445 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ChemDiv1_009445?
The CAS number of ChemDiv1_009445 is 421573-80-0.
What is the molecular formula of ChemDiv1_009445?
The molecular formula of ChemDiv1_009445 is C27H33N3O2S2.
What is the molecular weight of ChemDiv1_009445?
The molecular weight of ChemDiv1_009445 is 495.20142 g/mol.
Where can I buy ChemDiv1_009445?
You can request a quote for ChemDiv1_009445 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv1_009445?
Yes, CoreyChem provides custom synthesis services for ChemDiv1_009445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.