![4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid structure](/static/products/488/488730-32-1.png)
4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid
TL;DR: 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid (CAS 488730-32-1) is a chemical compound with molecular formula C23H18N2O5 and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoyl]amino]benzoic acid
Also Known As: 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid, 4-(4-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzamido)benzoic acid, 4-{[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoyl]amino}benzoic acid, 4-{[4-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-8-en-4-yl)phenyl]carbonylamino }benzoic acid
| Molecular Formula | C23H18N2O5 |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 2.9486 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.12158 |
| Heavy Atoms | 30 |
| Complexity | 1073.4183 |
Chemical Identifiers
| CAS Number | 488730-32-1 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C(=O)O |
Product Overview
4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid (CAS 488730-32-1), with molecular formula C23H18N2O5 and molecular weight 402.12 g/mol. IUPAC: 4-[[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoyl]amino]benzoic acid.
Chemical Property Profile of 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid
Property Insights of 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid
The XLogP value of 2.9486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-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 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid?
The CAS number of 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid is 488730-32-1.
What is the molecular formula of 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid?
The molecular formula of 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid is C23H18N2O5.
What is the molecular weight of 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid?
The molecular weight of 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid is 402.12 g/mol.
Where can I buy 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid?
You can request a quote for 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-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 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)phenyl]carbonyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-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.