ChemDiv1_001148
TL;DR: ChemDiv1_001148 (CAS 353495-19-9) is a chemical compound with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene-10-carboxylic acid
Also Known As: ChemDiv1_001148, BAS 00393263, 7-(3-nitrophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[4,5]pyrido[3,2,1-ij]cyclopenta[c]quinoline-2-carboxylic acid, 7-(3-nitrophenyl)-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid, 7-{3-nitrophenyl}-3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylic acid
| Molecular Formula | C25H22N2O4 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 5.1873 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.15796 |
| Heavy Atoms | 31 |
| Complexity | 1166.7897 |
Chemical Identifiers
| CAS Number | 353495-19-9 |
|---|---|
| SMILES | C1C=CC2C1CN3C(C4CC=CC4C5=CC(=CC2=C53)C(=O)O)C6=CC(=CC=C6)[N+](=O)[O-] |
Product Overview
ChemDiv1_001148 (CAS 353495-19-9), with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol. IUPAC: 2-(3-nitrophenyl)-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-5,8,10,12(19),14-pentaene-10-carboxylic acid.
Chemical Property Profile of ChemDiv1_001148
Property Insights of ChemDiv1_001148
The XLogP value of 5.1873 indicates that ChemDiv1_001148 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001148. Following Lipinski's Rule of Five, ChemDiv1_001148 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_001148?
The CAS number of ChemDiv1_001148 is 353495-19-9.
What is the molecular formula of ChemDiv1_001148?
The molecular formula of ChemDiv1_001148 is C25H22N2O4.
What is the molecular weight of ChemDiv1_001148?
The molecular weight of ChemDiv1_001148 is 414.16 g/mol.
Where can I buy ChemDiv1_001148?
You can request a quote for ChemDiv1_001148 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001148?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001148 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.