4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid
TL;DR: 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid (CAS 452088-32-3) is a chemical compound with molecular formula C15H14ClNO4 and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid
Also Known As: 4-CHLORO-3-(1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)BENZOIC ACID, 4-chloro-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic Acid, 4-chloro-3-(1,3-dioxooctahydro-2H-isoindol-2-yl)benzoic acid, 4-Chloro-3-(octahydro-1,3-dioxo-2H-isoindol-2-yl)benzoic acid
| Molecular Formula | C15H14ClNO4 |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 2.7178 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.06113 |
| Heavy Atoms | 21 |
| Complexity | 618.56085 |
Chemical Identifiers
| CAS Number | 452088-32-3 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C(=O)O)Cl |
Product Overview
4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid (CAS 452088-32-3), with molecular formula C15H14ClNO4 and molecular weight 307.06 g/mol. IUPAC: 4-chloro-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid.
Chemical Property Profile of 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid
Property Insights of 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid
The XLogP value of 2.7178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid 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 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid?
The CAS number of 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid is 452088-32-3.
What is the molecular formula of 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid?
The molecular formula of 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid is C15H14ClNO4.
What is the molecular weight of 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid?
The molecular weight of 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid is 307.06 g/mol.
Where can I buy 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid?
You can request a quote for 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)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-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(1,3-dioxo-octahydro-1H-isoindol-2-YL)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.