C12H12ClF3N4OS
TL;DR: C12H12ClF3N4OS (CAS 340219-43-4) is a chemical compound with molecular formula C12H12ClF3N4OS and molecular weight 352.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(carbamothioylhydrazinylidene)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
Also Known As: (3E)-3-(2-carbamothioylhydrazinylidene)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide, (3E)-3-(carbamothioylhydrazinylidene)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide, (E)-3-(2-carbamothioylhydrazono)-N-(4-chloro-2-(trifluoromethyl)phenyl)butanamide
| Molecular Formula | C12H12ClF3N4OS |
|---|---|
| Molecular Weight | 352.04 g/mol |
| LogP | 2.8965 |
| Topological Polar Surface Area | 79.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.03723 |
| Heavy Atoms | 22 |
| Complexity | 618.8792 |
Chemical Identifiers
| CAS Number | 340219-43-4 |
|---|---|
| SMILES | C/C(=N\NC(=S)N)/CC(=O)NC1=C(C=C(C=C1)Cl)C(F)(F)F |
Product Overview
C12H12ClF3N4OS (CAS 340219-43-4), with molecular formula C12H12ClF3N4OS and molecular weight 352.04 g/mol. IUPAC: (3E)-3-(carbamothioylhydrazinylidene)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide.
Chemical Property Profile of C12H12ClF3N4OS
Property Insights of C12H12ClF3N4OS
The XLogP value of 2.8965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H12ClF3N4OS. The TPSA of 79.51 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H12ClF3N4OS. Following Lipinski's Rule of Five, C12H12ClF3N4OS has 3 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 C12H12ClF3N4OS?
The CAS number of C12H12ClF3N4OS is 340219-43-4.
What is the molecular formula of C12H12ClF3N4OS?
The molecular formula of C12H12ClF3N4OS is C12H12ClF3N4OS.
What is the molecular weight of C12H12ClF3N4OS?
The molecular weight of C12H12ClF3N4OS is 352.04 g/mol.
Where can I buy C12H12ClF3N4OS?
You can request a quote for C12H12ClF3N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H12ClF3N4OS?
Yes, KEHONG BIO provides custom synthesis services for C12H12ClF3N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.