7C-064
TL;DR: 7C-064 (CAS 343375-54-2) is a chemical compound with molecular formula C14H13F3N6O4S and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate
Also Known As: 7C-064, methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-1(2H)-pyrazinecarbimidothioate, methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate, (Z)-cyano({4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}(methylsulfanyl)methylidene)amine, Methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboximidothioate
| Molecular Formula | C14H13F3N6O4S |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 2.84388 |
| Topological Polar Surface Area | 128.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.0671 |
| Heavy Atoms | 28 |
| Complexity | 826.6082 |
Chemical Identifiers
| CAS Number | 343375-54-2 |
|---|---|
| SMILES | CSC(=NC#N)N1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
7C-064 (CAS 343375-54-2), with molecular formula C14H13F3N6O4S and molecular weight 418.07 g/mol. IUPAC: methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate.
Chemical Property Profile of 7C-064
Property Insights of 7C-064
The XLogP value of 2.84388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7C-064. The TPSA of 128.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 7C-064. Following Lipinski's Rule of Five, 7C-064 has 0 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 7C-064?
The CAS number of 7C-064 is 343375-54-2.
What is the molecular formula of 7C-064?
The molecular formula of 7C-064 is C14H13F3N6O4S.
What is the molecular weight of 7C-064?
The molecular weight of 7C-064 is 418.07 g/mol.
Where can I buy 7C-064?
You can request a quote for 7C-064 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7C-064?
Yes, KEHONG BIO provides custom synthesis services for 7C-064 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.