5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester
TL;DR: 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester (CAS 313552-58-8) is a chemical compound with molecular formula C11H13NO5S and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
Also Known As: starbld0022827, 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester, dimethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate, BAS 00311391, dimethyl 5-acetamido-3-methyl-thiophene-2,4-dicarboxylate
| Molecular Formula | C11H13NO5S |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.05145 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 313552-58-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)C)C(=O)OC |
| InChIKey | YDBPRZRVBHRGCQ-UHFFFAOYSA-N |
Product Overview
5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester (CAS 313552-58-8), with molecular formula C11H13NO5S and molecular weight 271.05 g/mol. IUPAC: dimethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester
Property Insights of 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester. Following Lipinski's Rule of Five, 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester has 1 hydrogen bond donor(s) and 6 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-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester?
The CAS number of 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester is 313552-58-8.
What is the molecular formula of 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester?
The molecular formula of 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester is C11H13NO5S.
What is the molecular weight of 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester?
The molecular weight of 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester is 271.05 g/mol.
Where can I buy 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester?
You can request a quote for 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetylamino-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.