![(2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide structure](/static/products/1164/1164464-75-8.webp)
(2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide
TL;DR: (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide (CAS 1164464-75-8) is a chemical compound with molecular formula C11H7ClF3N3S and molecular weight 305.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enethioamide
Also Known As: (Z)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enethioamide, 3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyano-2-propenethioamide, (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide, (Z)-3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-cyanoprop-2-enethioamide
| Molecular Formula | C11H7ClF3N3S |
|---|---|
| Molecular Weight | 305.00 g/mol |
| LogP | 3.46428 |
| Topological Polar Surface Area | 61.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.00012 |
| Heavy Atoms | 19 |
| Complexity | 575.5286 |
Chemical Identifiers
| CAS Number | 1164464-75-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N/C=C(/C#N)\C(=S)N)Cl |
Product Overview
(2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide (CAS 1164464-75-8), with molecular formula C11H7ClF3N3S and molecular weight 305.00 g/mol. IUPAC: (Z)-3-[2-chloro-5-(trifluoromethyl)anilino]-2-cyanoprop-2-enethioamide.
Chemical Property Profile of (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide
Property Insights of (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide
The XLogP value of 3.46428 indicates that (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide. Following Lipinski's Rule of Five, (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide has 2 hydrogen bond donor(s) and 3 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 (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide?
The CAS number of (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide is 1164464-75-8.
What is the molecular formula of (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide?
The molecular formula of (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide is C11H7ClF3N3S.
What is the molecular weight of (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide?
The molecular weight of (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide is 305.00 g/mol.
Where can I buy (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide?
You can request a quote for (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-cyanoprop-2-enethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.