![3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid structure](/static/products/4743/474376-96-0.webp)
3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid
TL;DR: 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid (CAS 474376-96-0) is a chemical compound with molecular formula C23H20N2O5 and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoyl]amino]benzoic acid
Also Known As: 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid, 3-(3-(1,3-dioxohexahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzamido)benzoic acid, 3-(3-{3,5-dioxo-4-azatricyclo[5.2.1.0(2),?]decan-4-yl}benzamido)benzoic acid, 3-{[3-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-4-yl)phenyl]carbonylamino}benz oic acid, 3-{[3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)benzoyl]amino}benzoic acid
| Molecular Formula | C23H20N2O5 |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 3.1726 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1372 |
| Heavy Atoms | 30 |
| Complexity | 1066.506 |
Chemical Identifiers
| CAS Number | 474376-96-0 |
|---|---|
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=CC=CC(=C5)C(=O)O |
Product Overview
3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid (CAS 474376-96-0), with molecular formula C23H20N2O5 and molecular weight 404.14 g/mol. IUPAC: 3-[[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)benzoyl]amino]benzoic acid.
Chemical Property Profile of 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid
Property Insights of 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid
The XLogP value of 3.1726 indicates that 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid. Following Lipinski's Rule of Five, 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid has 2 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 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid?
The CAS number of 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid is 474376-96-0.
What is the molecular formula of 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid?
The molecular formula of 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid is C23H20N2O5.
What is the molecular weight of 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid?
The molecular weight of 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid is 404.14 g/mol.
Where can I buy 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid?
You can request a quote for 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-({[3-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.