ChemDiv1_025046
TL;DR: ChemDiv1_025046 (CAS 329328-78-1) is a chemical compound with molecular formula C25H27N3O3 and molecular weight 417.20523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-8,10,12(19)-trien-10-yl)-4-nitrobenzamide
Also Known As: N-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-4-nitrobenzamide, N-(1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-8,10,12(19)-trien-10-yl)-4-nitrobenzamide
Technical Specifications
| Molecular Formula | C25H27N3O3 |
| Molecular Weight | 417.20523 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.20523 Da |
| Heavy Atoms | 31 |
| Complexity | 681.0 |
| SMILES | C1CC2CN3CC4CCCC4C5=C3C(=CC(=C5)NC(=O)C6=CC=C(C=C6)[N+](=O)[O-])C2C1 |
| InChIKey | DVVOTUXKOYRRNA-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv1_025046
Property Insights of ChemDiv1_025046
The XLogP value of 5.3 indicates that ChemDiv1_025046 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025046. Following Lipinski's Rule of Five, ChemDiv1_025046 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ChemDiv1_025046?
The CAS number of ChemDiv1_025046 is 329328-78-1.
What is the molecular formula of ChemDiv1_025046?
The molecular formula of ChemDiv1_025046 is C25H27N3O3.
What is the molecular weight of ChemDiv1_025046?
The molecular weight of ChemDiv1_025046 is 417.20523 g/mol.
Where can I buy ChemDiv1_025046?
You can request a quote for ChemDiv1_025046 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv1_025046?
Yes, CoreyChem provides custom synthesis services for ChemDiv1_025046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.