![5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester structure](/static/products/876/876678-06-7.png)
5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester
TL;DR: 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester (CAS 876678-06-7) is a chemical compound with molecular formula C15H13FN2O2S2 and molecular weight 336.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-4-cyano-3-[(4-fluorophenyl)sulfanylmethyl]thiophene-2-carboxylate
Also Known As: 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester, ethyl 5-amino-4-cyano-3-[(4-fluorophenyl)sulfanylmethyl]thiophene-2-carboxylate, 678A067, Ethyl 5-amino-4-cyano-3-(((4-fluorophenyl)thio)methyl)thiophene-2-carboxylate, Ethyl5-amino-4-cyano-3-(((4-fluorophenyl)thio)methyl)thiophene-2-carboxylate
| Molecular Formula | C15H13FN2O2S2 |
|---|---|
| Molecular Weight | 336.04 g/mol |
| LogP | 3.81008 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.04025 |
| Heavy Atoms | 22 |
| Complexity | 720.379 |
Chemical Identifiers
| CAS Number | 876678-06-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC=C(C=C2)F |
Product Overview
5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester (CAS 876678-06-7), with molecular formula C15H13FN2O2S2 and molecular weight 336.04 g/mol. IUPAC: ethyl 5-amino-4-cyano-3-[(4-fluorophenyl)sulfanylmethyl]thiophene-2-carboxylate.
Chemical Property Profile of 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester
Property Insights of 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester
The XLogP value of 3.81008 indicates that 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl 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-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester?
The CAS number of 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester is 876678-06-7.
What is the molecular formula of 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester?
The molecular formula of 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester is C15H13FN2O2S2.
What is the molecular weight of 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester?
The molecular weight of 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester is 336.04 g/mol.
Where can I buy 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester?
You can request a quote for 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.