(2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate
TL;DR: (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate (CAS 625374-83-6) is a chemical compound with molecular formula C15H11ClFN3S and molecular weight 319.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate
Also Known As: 2-chloro-6-fluorobenzyl N'-cyano-N-phenylimidothiocarbamate, AM-807/14960651, (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate, (2E)-3-[(2-chloro-6-fluorophenyl)methylthio]-3-(phenylamino)-2-azaprop-2-eneni trile
| Molecular Formula | C15H11ClFN3S |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 4.47068 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.03464 |
| Heavy Atoms | 21 |
| Complexity | 662.81323 |
Chemical Identifiers
| CAS Number | 625374-83-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=C(NC#N)SCC2=C(C=CC=C2Cl)F |
Product Overview
(2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate (CAS 625374-83-6), with molecular formula C15H11ClFN3S and molecular weight 319.03 g/mol. IUPAC: (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate.
Chemical Property Profile of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate
Property Insights of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate
The XLogP value of 4.47068 indicates that (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.18 Ų, (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate has 1 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 (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate?
The CAS number of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate is 625374-83-6.
What is the molecular formula of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate?
The molecular formula of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate is C15H11ClFN3S.
What is the molecular weight of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate?
The molecular weight of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate is 319.03 g/mol.
Where can I buy (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate?
You can request a quote for (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (2-chloro-6-fluorophenyl)methyl N-cyano-N'-phenylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.