ChemDiv1_020468
TL;DR: ChemDiv1_020468 (CAS 313653-93-9) is a chemical compound with molecular formula C25H17NO4 and molecular weight 395.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
Also Known As: ChemDiv1_020468, 3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0(2,7).0(9,14).0(15,19)]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid, AE-848/07783020, 3-(16,18-Dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid, 3-(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~1-5,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
| Molecular Formula | C25H17NO4 |
|---|---|
| Molecular Weight | 395.12 g/mol |
| LogP | 3.7814 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 395.11575 |
| Heavy Atoms | 30 |
| Complexity | 1147.7633 |
Chemical Identifiers
| CAS Number | 313653-93-9 |
|---|---|
| SMILES | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=CC(=C6)C(=O)O |
Product Overview
ChemDiv1_020468 (CAS 313653-93-9), with molecular formula C25H17NO4 and molecular weight 395.12 g/mol. IUPAC: 3-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid.
Chemical Property Profile of ChemDiv1_020468
Property Insights of ChemDiv1_020468
The XLogP value of 3.7814 indicates that ChemDiv1_020468 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_020468. Following Lipinski's Rule of Five, ChemDiv1_020468 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_020468?
The CAS number of ChemDiv1_020468 is 313653-93-9.
What is the molecular formula of ChemDiv1_020468?
The molecular formula of ChemDiv1_020468 is C25H17NO4.
What is the molecular weight of ChemDiv1_020468?
The molecular weight of ChemDiv1_020468 is 395.12 g/mol.
Where can I buy ChemDiv1_020468?
You can request a quote for ChemDiv1_020468 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020468?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020468 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.