ChemDiv1_022003
TL;DR: ChemDiv1_022003 (CAS 6033-18-7) is a chemical compound with molecular formula C25H16ClNO4 and molecular weight 429.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-4-(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_022003, BAS 01291001, BIM-0009753.P001, 2-chloro-4-(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, 2-Chloro-4-(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
| Molecular Formula | C25H16ClNO4 |
|---|---|
| Molecular Weight | 429.08 g/mol |
| LogP | 4.4348 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.07678 |
| Heavy Atoms | 31 |
| Complexity | 1200.879 |
Chemical Identifiers
| CAS Number | 6033-18-7 |
|---|---|
| SMILES | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC(=C(C=C6)C(=O)O)Cl |
Product Overview
ChemDiv1_022003 (CAS 6033-18-7), with molecular formula C25H16ClNO4 and molecular weight 429.08 g/mol. IUPAC: 2-chloro-4-(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_022003
Property Insights of ChemDiv1_022003
The XLogP value of 4.4348 indicates that ChemDiv1_022003 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_022003. Following Lipinski's Rule of Five, ChemDiv1_022003 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_022003?
The CAS number of ChemDiv1_022003 is 6033-18-7.
What is the molecular formula of ChemDiv1_022003?
The molecular formula of ChemDiv1_022003 is C25H16ClNO4.
What is the molecular weight of ChemDiv1_022003?
The molecular weight of ChemDiv1_022003 is 429.08 g/mol.
Where can I buy ChemDiv1_022003?
You can request a quote for ChemDiv1_022003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022003?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.