Ethyl 5-acetamido-4-cyano-3-methylthenoate
TL;DR: Ethyl 5-acetamido-4-cyano-3-methylthenoate (CAS 23903-49-3) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: Ethyl 5-acetamido-4-cyano-3-methylthenoate, TimTec1_001670, ethyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate, BAS 00534737, ethyl5-acetamido-4-cyano-3-methylthenoate
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 23903-49-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C)C#N)C |
| InChIKey | HOXMUFDZGGNNEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-acetamido-4-cyano-3-methylthenoate (CAS 23903-49-3), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: ethyl 5-acetamido-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 5-acetamido-4-cyano-3-methylthenoate
Property Insights of Ethyl 5-acetamido-4-cyano-3-methylthenoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-acetamido-4-cyano-3-methylthenoate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-acetamido-4-cyano-3-methylthenoate. Following Lipinski's Rule of Five, Ethyl 5-acetamido-4-cyano-3-methylthenoate 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 Ethyl 5-acetamido-4-cyano-3-methylthenoate?
The CAS number of Ethyl 5-acetamido-4-cyano-3-methylthenoate is 23903-49-3.
What is the molecular formula of Ethyl 5-acetamido-4-cyano-3-methylthenoate?
The molecular formula of Ethyl 5-acetamido-4-cyano-3-methylthenoate is C11H12N2O3S.
What is the molecular weight of Ethyl 5-acetamido-4-cyano-3-methylthenoate?
The molecular weight of Ethyl 5-acetamido-4-cyano-3-methylthenoate is 252.06 g/mol.
Where can I buy Ethyl 5-acetamido-4-cyano-3-methylthenoate?
You can request a quote for Ethyl 5-acetamido-4-cyano-3-methylthenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-acetamido-4-cyano-3-methylthenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-acetamido-4-cyano-3-methylthenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.