3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid
TL;DR: 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid (CAS 694522-49-1) is a chemical compound with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylbenzoic acid
Also Known As: 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid, 3-[(2-ethyl-1,3-dioxo-isoindole-5-carbonyl)amino]-4-methyl-benzoic Acid, 3-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylbenzoic acid, 3-{[(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl]amino}-4-methylbenzoic acid
| Molecular Formula | C19H16N2O5 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 2.56142 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.10593 |
| Heavy Atoms | 26 |
| Complexity | 964.397 |
Chemical Identifiers
| CAS Number | 694522-49-1 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C |
Product Overview
3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid (CAS 694522-49-1), with molecular formula C19H16N2O5 and molecular weight 352.11 g/mol. IUPAC: 3-[(2-ethyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylbenzoic acid.
Chemical Property Profile of 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid
Property Insights of 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid
The XLogP value of 2.56142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(2-ethyl-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-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid?
The CAS number of 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid is 694522-49-1.
What is the molecular formula of 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid?
The molecular formula of 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid is C19H16N2O5.
What is the molecular weight of 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid?
The molecular weight of 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid is 352.11 g/mol.
Where can I buy 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid?
You can request a quote for 3-(2-ethyl-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-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-ethyl-1,3-dioxoisoindoline-5-carboxamido)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.