Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate
TL;DR: Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate (CAS 21762-88-9) is a chemical compound with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4-cyano-5-methylthiophene-2-carboxylate
Also Known As: BIM-0020749.P001, AB00086058-01, ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate, ethyl 3-amino-4-cyano-5-methylthiophene-2-carboxylate, 3-Amino-4-cyano-5-methyl-2-thiophenecarboxylic acid ethyl ester
| Molecular Formula | C9H10N2O2S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 1.6871 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0463 |
| Heavy Atoms | 14 |
| Complexity | 403.67984 |
Chemical Identifiers
| CAS Number | 21762-88-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)C)C#N)N |
Product Overview
Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate (CAS 21762-88-9), with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol. IUPAC: ethyl 3-amino-4-cyano-5-methylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate
Property Insights of Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate
The XLogP value of 1.6871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate 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 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate?
The CAS number of Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate is 21762-88-9.
What is the molecular formula of Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate?
The molecular formula of Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate is C9H10N2O2S.
What is the molecular weight of Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate?
The molecular weight of Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate is 210.05 g/mol.
Where can I buy Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate?
You can request a quote for Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-amino-4-cyano-5-methyl-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.