ChemDiv1_020630
TL;DR: ChemDiv1_020630 (CAS 311799-01-6) is a chemical compound with molecular formula C27H21NO4 and molecular weight 423.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,8-dimethyl-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_020630, BIM-0006882.P001, 4-(1,8-dimethyl-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, A1710/0072878, 4-(1,8-Dimethyl-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 | C27H21NO4 |
|---|---|
| Molecular Weight | 423.15 g/mol |
| LogP | 4.1296 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.14706 |
| Heavy Atoms | 32 |
| Complexity | 1218.2721 |
Chemical Identifiers
| CAS Number | 311799-01-6 |
|---|---|
| SMILES | CC12C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)C(C5=CC=CC=C51)(C6=CC=CC=C26)C |
Product Overview
ChemDiv1_020630 (CAS 311799-01-6), with molecular formula C27H21NO4 and molecular weight 423.15 g/mol. IUPAC: 4-(1,8-dimethyl-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_020630
Property Insights of ChemDiv1_020630
The XLogP value of 4.1296 indicates that ChemDiv1_020630 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_020630. Following Lipinski's Rule of Five, ChemDiv1_020630 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_020630?
The CAS number of ChemDiv1_020630 is 311799-01-6.
What is the molecular formula of ChemDiv1_020630?
The molecular formula of ChemDiv1_020630 is C27H21NO4.
What is the molecular weight of ChemDiv1_020630?
The molecular weight of ChemDiv1_020630 is 423.15 g/mol.
Where can I buy ChemDiv1_020630?
You can request a quote for ChemDiv1_020630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_020630?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_020630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.