![3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid structure](/static/products/7019/701940-36-5.webp)
3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid
TL;DR: 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid (CAS 701940-36-5) is a chemical compound with molecular formula C15H12BrClN2O3 and molecular weight 381.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-methylbenzoic acid
Also Known As: 3-(3-(4-bromo-2-chlorophenyl)ureido)-4-methylbenzoic acid, 3-[(4-bromo-2-chloro-phenyl)carbamoylamino]-4-methyl-benzoic Acid, 3-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-methylbenzoic acid, 3-{[(4-bromo-2-chlorophenyl)carbamoyl]amino}-4-methylbenzoic acid, 3-{[(4-BROMO-2-CHLOROANILINO)CARBONYL]AMINO}-4-METHYLBENZOIC ACID
| Molecular Formula | C15H12BrClN2O3 |
|---|---|
| Molecular Weight | 381.97 g/mol |
| LogP | 4.75312 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.972 |
| Heavy Atoms | 22 |
| Complexity | 749.56256 |
Chemical Identifiers
| CAS Number | 701940-36-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=O)NC2=C(C=C(C=C2)Br)Cl |
Product Overview
3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid (CAS 701940-36-5), with molecular formula C15H12BrClN2O3 and molecular weight 381.97 g/mol. IUPAC: 3-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-methylbenzoic acid.
Chemical Property Profile of 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid
Property Insights of 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid
The XLogP value of 4.75312 indicates that 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid has 3 hydrogen bond donor(s) and 2 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-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid?
The CAS number of 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid is 701940-36-5.
What is the molecular formula of 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid?
The molecular formula of 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid is C15H12BrClN2O3.
What is the molecular weight of 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid?
The molecular weight of 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid is 381.97 g/mol.
Where can I buy 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid?
You can request a quote for 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-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-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(4-Bromo-2-chlorophenyl)amino]carbonylamino}-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.