ChemDiv1_011342
TL;DR: ChemDiv1_011342 (CAS 6237-72-5) is a chemical compound with molecular formula C29H21NO4 and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(10-benzhydrylidene-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoic acid
Also Known As: ChemDiv1_011342, BIM-0002486.P001, 3-[10-(diphenylmethylene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]benzoic acid, A1946/0081777, 3-[8-(diphenylmethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoic acid
| Molecular Formula | C29H21NO4 |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 4.8083 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.14706 |
| Heavy Atoms | 34 |
| Complexity | 1314.3976 |
Chemical Identifiers
| CAS Number | 6237-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=CC(=C5)C(=O)O)C6=CC=CC=C6 |
Product Overview
ChemDiv1_011342 (CAS 6237-72-5), with molecular formula C29H21NO4 and molecular weight 447.15 g/mol. IUPAC: 3-(10-benzhydrylidene-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoic acid.
Chemical Property Profile of ChemDiv1_011342
Property Insights of ChemDiv1_011342
The XLogP value of 4.8083 indicates that ChemDiv1_011342 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_011342. Following Lipinski's Rule of Five, ChemDiv1_011342 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_011342?
The CAS number of ChemDiv1_011342 is 6237-72-5.
What is the molecular formula of ChemDiv1_011342?
The molecular formula of ChemDiv1_011342 is C29H21NO4.
What is the molecular weight of ChemDiv1_011342?
The molecular weight of ChemDiv1_011342 is 447.15 g/mol.
Where can I buy ChemDiv1_011342?
You can request a quote for ChemDiv1_011342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011342?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.