ChemDiv1_021528
TL;DR: ChemDiv1_021528 (CAS 6331-86-8) is a chemical compound with molecular formula C20H15NO4 and molecular weight 333.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid
Also Known As: ChemDiv1_021528, 2'-nitrobiphenyl-4-yl benzoate, KST-1A6872, RCL L261793, BAS 04443151
| Molecular Formula | C20H15NO4 |
|---|---|
| Molecular Weight | 333.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.1001 |
| Heavy Atoms | 25 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 6331-86-8 |
|---|---|
| SMILES | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)O |
| InChIKey | OWTGLTJTLFMMFW-UHFFFAOYSA-N |
Product Overview
ChemDiv1_021528 (CAS 6331-86-8), with molecular formula C20H15NO4 and molecular weight 333.10 g/mol. IUPAC: 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid.
Chemical Property Profile of ChemDiv1_021528
Property Insights of ChemDiv1_021528
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021528. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021528. Following Lipinski's Rule of Five, ChemDiv1_021528 has 1 hydrogen bond donor(s) and 4 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_021528?
The CAS number of ChemDiv1_021528 is 6331-86-8.
What is the molecular formula of ChemDiv1_021528?
The molecular formula of ChemDiv1_021528 is C20H15NO4.
What is the molecular weight of ChemDiv1_021528?
The molecular weight of ChemDiv1_021528 is 333.10 g/mol.
Where can I buy ChemDiv1_021528?
You can request a quote for ChemDiv1_021528 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021528?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021528 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.