2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid
TL;DR: 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid (CAS 378778-35-9) is a chemical compound with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
Also Known As: 2-(2-isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid, 2-[[2-(3-methylbutyl)-1,3-dioxo-isoindole-5-carbonyl]amino]benzoic Acid, 2-[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid, 2-({[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoic acid, 2-[2-(3-methylbutyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido]benzoic acid
| Molecular Formula | C21H20N2O5 |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 3.2792 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.1372 |
| Heavy Atoms | 28 |
| Complexity | 980.5113 |
Chemical Identifiers
| CAS Number | 378778-35-9 |
|---|---|
| SMILES | CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O |
Product Overview
2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid (CAS 378778-35-9), with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol. IUPAC: 2-[[2-(3-methylbutyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid.
Chemical Property Profile of 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid
Property Insights of 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid
The XLogP value of 3.2792 indicates that 2-(2-Isopentyl-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 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid. Following Lipinski's Rule of Five, 2-(2-Isopentyl-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 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
The CAS number of 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid is 378778-35-9.
What is the molecular formula of 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
The molecular formula of 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid is C21H20N2O5.
What is the molecular weight of 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
The molecular weight of 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid is 380.14 g/mol.
Where can I buy 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
You can request a quote for 2-(2-Isopentyl-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 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Isopentyl-1,3-dioxoisoindoline-5-carboxamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.