![2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid structure](/static/products/6036/6036-09-5.webp)
2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid
TL;DR: 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid (CAS 6036-09-5) is a chemical compound with molecular formula C22H16ClNO5 and molecular weight 409.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid
Also Known As: BIM-0043695.P001, 2-[4-chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid, 2-[4-Chloro-3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoyl]benzoic acid
| Molecular Formula | C22H16ClNO5 |
|---|---|
| Molecular Weight | 409.07 g/mol |
| LogP | 3.7248 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.0717 |
| Heavy Atoms | 29 |
| Complexity | 1064.3602 |
Chemical Identifiers
| CAS Number | 6036-09-5 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)C3=C(C=CC(=C3)C(=O)C4=CC=CC=C4C(=O)O)Cl |
Product Overview
2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid (CAS 6036-09-5), with molecular formula C22H16ClNO5 and molecular weight 409.07 g/mol. IUPAC: 2-[4-chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid.
Chemical Property Profile of 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid
Property Insights of 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid
The XLogP value of 3.7248 indicates that 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid 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 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid?
The CAS number of 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid is 6036-09-5.
What is the molecular formula of 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid?
The molecular formula of 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid is C22H16ClNO5.
What is the molecular weight of 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid?
The molecular weight of 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid is 409.07 g/mol.
Where can I buy 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid?
You can request a quote for 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-Chloro-3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.