![2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid structure](/static/products/4614/461438-40-4.webp)
2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid
TL;DR: 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid (CAS 461438-40-4) is a chemical compound with molecular formula C14H12BrNO3S and molecular weight 352.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
Also Known As: AE-848/34080014, 2-[(3-bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid, 2-[(3-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid, 2-(3-BROMOBENZAMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLIC ACID, 2-{[(3-bromophenyl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylic acid
| Molecular Formula | C14H12BrNO3S |
|---|---|
| Molecular Weight | 352.97 g/mol |
| LogP | 4.07794 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.97214 |
| Heavy Atoms | 20 |
| Complexity | 693.7226 |
Chemical Identifiers
| CAS Number | 461438-40-4 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)O)NC(=O)C2=CC(=CC=C2)Br)C |
Product Overview
2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid (CAS 461438-40-4), with molecular formula C14H12BrNO3S and molecular weight 352.97 g/mol. IUPAC: 2-[(3-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.
Chemical Property Profile of 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid
Property Insights of 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid
The XLogP value of 4.07794 indicates that 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid. Following Lipinski's Rule of Five, 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid has 2 hydrogen bond donor(s) and 3 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-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid?
The CAS number of 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid is 461438-40-4.
What is the molecular formula of 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid?
The molecular formula of 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid is C14H12BrNO3S.
What is the molecular weight of 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid?
The molecular weight of 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid is 352.97 g/mol.
Where can I buy 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid?
You can request a quote for 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Bromobenzoyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.