2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid
TL;DR: 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid (CAS 52535-72-5) is a chemical compound with molecular formula C14H13NO3S and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzamido-4,5-dimethylthiophene-3-carboxylic acid
Also Known As: 2-benzamido-4,5-dimethylthiophene-3-carboxylic acid, starbld0021949, BAS 00386853, 2-(benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid, 4,5-dimethyl-2-[(phenylcarbonyl)amino]thiophene-3-carboxylic acid
| Molecular Formula | C14H13NO3S |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.0616 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 52535-72-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)O)NC(=O)C2=CC=CC=C2)C |
| InChIKey | HTBXMKTUPNCXIJ-UHFFFAOYSA-N |
Product Overview
2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid (CAS 52535-72-5), with molecular formula C14H13NO3S and molecular weight 275.06 g/mol. IUPAC: 2-benzamido-4,5-dimethylthiophene-3-carboxylic acid.
Chemical Property Profile of 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid
Property Insights of 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid
The XLogP value of 3.6 indicates that 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid. Following Lipinski's Rule of Five, 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic 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 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid?
The CAS number of 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid is 52535-72-5.
What is the molecular formula of 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid?
The molecular formula of 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid is C14H13NO3S.
What is the molecular weight of 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid?
The molecular weight of 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid is 275.06 g/mol.
Where can I buy 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid?
You can request a quote for 2-(Benzoylamino)-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-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzoylamino)-4,5-dimethyl-3-thiophenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.