![3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid structure](/static/products/4336/433690-89-2.webp)
3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid
TL;DR: 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid (CAS 433690-89-2) is a chemical compound with molecular formula C16H13BrN2O4S and molecular weight 407.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid, 3-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3-({[(5-bromo-2-methoxybenzoyl)amino]carbonothioyl}amino)benzoic acid, 3-({[(5-bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)benzoic acid, 3-[(5-bromo-2-methoxy-benzoyl)thiocarbamoylamino]benzoic Acid
| Molecular Formula | C16H13BrN2O4S |
|---|---|
| Molecular Weight | 407.98 g/mol |
| LogP | 3.2827 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.97794 |
| Heavy Atoms | 24 |
| Complexity | 810.4145 |
Chemical Identifiers
| CAS Number | 433690-89-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid (CAS 433690-89-2), with molecular formula C16H13BrN2O4S and molecular weight 407.98 g/mol. IUPAC: 3-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid
Property Insights of 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 3.2827 indicates that 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid has 3 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-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid is 433690-89-2.
What is the molecular formula of 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid is C16H13BrN2O4S.
What is the molecular weight of 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid is 407.98 g/mol.
Where can I buy 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Bromo-2-methoxybenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.