4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid
TL;DR: 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid (CAS 404363-66-2) is a chemical compound with molecular formula C22H19ClN2O5 and molecular weight 426.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
Also Known As: 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid, 4-chloro-2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid, 4-chloro-2-(2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido)benzoic acid, 4-chloro-2-[(2-cyclohexyl-1,3-dioxo-isoindole-5-carbonyl)amino]benzoic Acid, 4-chloro-2-{[(2-cyclohexyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}benzoic acid
| Molecular Formula | C22H19ClN2O5 |
|---|---|
| Molecular Weight | 426.10 g/mol |
| LogP | 4.2192 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.09824 |
| Heavy Atoms | 30 |
| Complexity | 1075.1927 |
Chemical Identifiers
| CAS Number | 404363-66-2 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)O |
Product Overview
4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid (CAS 404363-66-2), with molecular formula C22H19ClN2O5 and molecular weight 426.10 g/mol. IUPAC: 4-chloro-2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid.
Chemical Property Profile of 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid
Property Insights of 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid
The XLogP value of 4.2192 indicates that 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)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 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid. Following Lipinski's Rule of Five, 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)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-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
The CAS number of 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid is 404363-66-2.
What is the molecular formula of 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
The molecular formula of 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid is C22H19ClN2O5.
What is the molecular weight of 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
The molecular weight of 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid is 426.10 g/mol.
Where can I buy 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
You can request a quote for 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)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-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-(2-cyclohexyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.