![ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate structure](/static/products/714/714925-10-7.png)
ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate
TL;DR: ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate (CAS 714925-10-7) is a chemical compound with molecular formula C19H15Cl2N5O3S2 and molecular weight 495.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate
Also Known As: ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate, 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester, 4-Cyano-5-{2-[5-(2,4-dichloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-3-methyl-thiophene-2- carboxylic acid ethyl ester, ethyl 4-cyano-5-(2-((5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)-3-methylthiophene-2-carboxylate, ethyl 4-cyano-5-(2-{[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-3-methylthiophene-2-carboxylate
| Molecular Formula | C19H15Cl2N5O3S2 |
|---|---|
| Molecular Weight | 495.00 g/mol |
| LogP | 4.9276 |
| Topological Polar Surface Area | 120.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.99933 |
| Heavy Atoms | 31 |
| Complexity | 1185.9095 |
Chemical Identifiers
| CAS Number | 714925-10-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NNC(=N2)C3=C(C=C(C=C3)Cl)Cl)C#N)C |
Product Overview
ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate (CAS 714925-10-7), with molecular formula C19H15Cl2N5O3S2 and molecular weight 495.00 g/mol. IUPAC: ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate.
Chemical Property Profile of ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate
Property Insights of ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate
The XLogP value of 4.9276 indicates that ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate has 2 hydrogen bond donor(s) and 8 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 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate?
The CAS number of ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate is 714925-10-7.
What is the molecular formula of ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate?
The molecular formula of ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate is C19H15Cl2N5O3S2.
What is the molecular weight of ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate?
The molecular weight of ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate is 495.00 g/mol.
Where can I buy ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate?
You can request a quote for ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-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 ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-cyano-5-[[2-[[5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.