Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate
TL;DR: Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate (CAS 549485-51-0) is a chemical compound with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate, VU0500327-1, AO-080/11991410, methyl 5-acetylamino-4-cyano-3-methyl-2-thenoate, METHYL 4-CYANO-5-ACETAMIDO-3-METHYLTHIOPHENE-2-CARBOXYLATE
| Molecular Formula | C10H10N2O3S |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 1.6732 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.04121 |
| Heavy Atoms | 16 |
| Complexity | 484.98895 |
Chemical Identifiers
| CAS Number | 549485-51-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C)C(=O)OC |
Product Overview
Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate (CAS 549485-51-0), with molecular formula C10H10N2O3S and molecular weight 238.04 g/mol. IUPAC: methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate
Property Insights of Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate
The XLogP value of 1.6732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate 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 Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate?
The CAS number of Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate is 549485-51-0.
What is the molecular formula of Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate?
The molecular formula of Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate is C10H10N2O3S.
What is the molecular weight of Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate?
The molecular weight of Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate is 238.04 g/mol.
Where can I buy Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate?
You can request a quote for Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.