5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester
TL;DR: 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester (CAS 4651-88-1) is a chemical compound with molecular formula C11H13NO4S and molecular weight 255.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-acetamido-5-acetyl-4-methylthiophene-3-carboxylate
Also Known As: 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester, J2.131.553B, methyl 2-acetamido-5-acetyl-4-methylthiophene-3-carboxylate, methyl 2-acetamido-5-acetyl-4-methyl-thiophene-3-carboxylate, METHYL 5-ACETYL-2-ACETAMIDO-4-METHYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C11H13NO4S |
|---|---|
| Molecular Weight | 255.06 g/mol |
| LogP | 2.00412 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.05653 |
| Heavy Atoms | 17 |
| Complexity | 489.90604 |
Chemical Identifiers
| CAS Number | 4651-88-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C)C(=O)C |
Product Overview
5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester (CAS 4651-88-1), with molecular formula C11H13NO4S and molecular weight 255.06 g/mol. IUPAC: methyl 2-acetamido-5-acetyl-4-methylthiophene-3-carboxylate.
Chemical Property Profile of 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester
Property Insights of 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester
The XLogP value of 2.00412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester has 1 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 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester?
The CAS number of 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester is 4651-88-1.
What is the molecular formula of 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester?
The molecular formula of 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester is C11H13NO4S.
What is the molecular weight of 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester?
The molecular weight of 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester is 255.06 g/mol.
Where can I buy 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester?
You can request a quote for 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-acetylamino-4-methyl-thiophene-3-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.