3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester
TL;DR: 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester (CAS 78033-83-7) is a chemical compound with molecular formula C16H17NO4S and molecular weight 319.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate
Also Known As: 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester, 2-Hydroxyethyl 2-(benzoylamino)-4,5-dimethyl-3-thiophenecarboxylate, 2-hydroxyethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate, 2-hydroxyethyl 2-benzamido-4,5-dimethylthiophene-3-carboxyla, 2-hydroxyethyl 2-(benzoylamino)-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C16H17NO4S |
|---|---|
| Molecular Weight | 319.09 g/mol |
| LogP | 2.76634 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.08783 |
| Heavy Atoms | 22 |
| Complexity | 678.9543 |
Chemical Identifiers
| CAS Number | 78033-83-7 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OCCO)NC(=O)C2=CC=CC=C2)C |
Product Overview
3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester (CAS 78033-83-7), with molecular formula C16H17NO4S and molecular weight 319.09 g/mol. IUPAC: 2-hydroxyethyl 2-benzamido-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester
Property Insights of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester
The XLogP value of 2.76634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester. Following Lipinski's Rule of Five, 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester has 2 hydrogen bond donor(s) and 5 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-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester?
The CAS number of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester is 78033-83-7.
What is the molecular formula of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester?
The molecular formula of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester is C16H17NO4S.
What is the molecular weight of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester?
The molecular weight of 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester is 319.09 g/mol.
Where can I buy 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester?
You can request a quote for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylic acid, 2-(benzoylamino)-4,5-dimethyl-, 2-hydroxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.