![2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid structure](/static/products/3156/315675-95-7.webp)
2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid
TL;DR: 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid (CAS 315675-95-7) is a chemical compound with molecular formula C19H18ClN3O5 and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid
Also Known As: BAS 02284679, AN-329/14660046, 2-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid, 2-(2-(4-((3-Chloro-2-methylphenyl)amino)-4-oxobutanoyl)hydrazine-1-carbonyl)benzoic acid, 2-({2-[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]hydrazino}carbonyl)benzoic acid
| Molecular Formula | C19H18ClN3O5 |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 2.52652 |
| Topological Polar Surface Area | 124.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0935 |
| Heavy Atoms | 28 |
| Complexity | 929.53516 |
Chemical Identifiers
| CAS Number | 315675-95-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=O)C2=CC=CC=C2C(=O)O |
Product Overview
2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid (CAS 315675-95-7), with molecular formula C19H18ClN3O5 and molecular weight 403.09 g/mol. IUPAC: 2-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid.
Chemical Property Profile of 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid
Property Insights of 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid
The XLogP value of 2.52652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid. The TPSA of 124.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid has 4 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-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid?
The CAS number of 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid is 315675-95-7.
What is the molecular formula of 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid?
The molecular formula of 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid is C19H18ClN3O5.
What is the molecular weight of 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid?
The molecular weight of 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid is 403.09 g/mol.
Where can I buy 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid?
You can request a quote for 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]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-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[4-(3-Chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.