(Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate
TL;DR: (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate (CAS 372086-20-9) is a chemical compound with molecular formula C15H14F3N3O3S and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxobutanoate
Also Known As: (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate, ethyl 4-({N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidoyl}sulfanyl)-3-oxobutanoate, ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxobutanoate
| Molecular Formula | C15H14F3N3O3S |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 3.01908 |
| Topological Polar Surface Area | 91.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.0708 |
| Heavy Atoms | 25 |
| Complexity | 699.2425 |
Chemical Identifiers
| CAS Number | 372086-20-9 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC(=NC1=CC=CC(=C1)C(F)(F)F)NC#N |
Product Overview
(Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate (CAS 372086-20-9), with molecular formula C15H14F3N3O3S and molecular weight 373.07 g/mol. IUPAC: ethyl 4-[N-cyano-N'-[3-(trifluoromethyl)phenyl]carbamimidoyl]sulfanyl-3-oxobutanoate.
Chemical Property Profile of (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate
Property Insights of (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate
The XLogP value of 3.01908 indicates that (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.55 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate 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 (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate?
The CAS number of (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate is 372086-20-9.
What is the molecular formula of (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate?
The molecular formula of (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate is C15H14F3N3O3S.
What is the molecular weight of (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate?
The molecular weight of (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate is 373.07 g/mol.
Where can I buy (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate?
You can request a quote for (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-ethyl 4-((N'-cyano-N-(3-(trifluoromethyl)phenyl)carbamimidoyl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.