![4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid structure](/static/products/3129/312937-67-0.webp)
4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid
TL;DR: 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid (CAS 312937-67-0) is a chemical compound with molecular formula C20H17NO5 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]benzoic acid
Also Known As: A1977/0083199, 4-(2-isobutyl-1,3-dioxoisoindoline-5-carbonyl)benzoic acid, 4-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]benzoic acid, 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid, 4-[2-(2-METHYLPROPYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBONYL]BENZOIC ACID
| Molecular Formula | C20H17NO5 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 2.8678 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.1107 |
| Heavy Atoms | 26 |
| Complexity | 927.7178 |
Chemical Identifiers
| CAS Number | 312937-67-0 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid (CAS 312937-67-0), with molecular formula C20H17NO5 and molecular weight 351.11 g/mol. IUPAC: 4-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]benzoic acid.
Chemical Property Profile of 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid
Property Insights of 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid
The XLogP value of 2.8678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]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 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid?
The CAS number of 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid is 312937-67-0.
What is the molecular formula of 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid?
The molecular formula of 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid is C20H17NO5.
What is the molecular weight of 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid?
The molecular weight of 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid is 351.11 g/mol.
Where can I buy 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid?
You can request a quote for 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]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-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-isobutyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.