3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid
TL;DR: 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid (CAS 831244-77-0) is a chemical compound with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
Also Known As: 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid, 4-methyl-3-[[2-(3-methylbutyl)-1,3-dioxo-isoindole-5-carbonyl]amino]benzoic Acid, 4-methyl-3-[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid, 4-methyl-3-({[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoic acid
| Molecular Formula | C22H22N2O5 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 3.58762 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.15286 |
| Heavy Atoms | 29 |
| Complexity | 1025.8578 |
Chemical Identifiers
| CAS Number | 831244-77-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC(C)C |
Product Overview
3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid (CAS 831244-77-0), with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol. IUPAC: 4-methyl-3-[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid.
Chemical Property Profile of 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid
Property Insights of 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid
The XLogP value of 3.58762 indicates that 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic 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-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic 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-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid?
The CAS number of 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid is 831244-77-0.
What is the molecular formula of 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid?
The molecular formula of 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid is C22H22N2O5.
What is the molecular weight of 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid?
The molecular weight of 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid is 394.15 g/mol.
Where can I buy 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid?
You can request a quote for 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.