![ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE structure](/static/products/828/828279-57-8.png)
ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE
TL;DR: ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE (CAS 828279-57-8) is a chemical compound with molecular formula C22H24ClN5O3S and molecular weight 473.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE, ethyl 5-({[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]dec-1-yl]carbonyl}amino)-4-cyano-3-methylthiophene-2-carboxylate, ethyl 5-(3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamido)-4-cyano-3-methylthiophene-2-carboxylate, ethyl 5-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate, ethyl 5-{[3-(3-chloro(1,2,4-triazolyl))adamantanyl]carbonylamino}-4-cyano-3-me thylthiophene-2-carboxylate
| Molecular Formula | C22H24ClN5O3S |
|---|---|
| Molecular Weight | 473.13 g/mol |
| LogP | 4.284 |
| Topological Polar Surface Area | 109.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.12885 |
| Heavy Atoms | 32 |
| Complexity | 1135.1127 |
Chemical Identifiers
| CAS Number | 828279-57-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N5C=NC(=N5)Cl)C#N)C |
Product Overview
ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE (CAS 828279-57-8), with molecular formula C22H24ClN5O3S and molecular weight 473.13 g/mol. IUPAC: ethyl 5-[[3-(3-chloro-1,2,4-triazol-1-yl)adamantane-1-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE
Property Insights of ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE
The XLogP value of 4.284 indicates that ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE. Following Lipinski's Rule of Five, ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE has 1 hydrogen bond donor(s) and 7 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-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE?
The CAS number of ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE is 828279-57-8.
What is the molecular formula of ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE?
The molecular formula of ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE is C22H24ClN5O3S.
What is the molecular weight of ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE?
The molecular weight of ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE is 473.13 g/mol.
Where can I buy ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE?
You can request a quote for ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-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 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ETHYL 5-({[3-(3-CHLORO-1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTYL]CARBONYL}AMINO)-4-CYANO-3-METHYL-2-THIOPHENECARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.