(2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate
TL;DR: (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate (CAS 625374-75-6) is a chemical compound with molecular formula C12H11ClFN3S and molecular weight 283.03 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'-prop-2-enylcarbamimidothioate
Also Known As: 2-chloro-6-fluorobenzyl N-allyl-N'-cyanoimidothiocarbamate, AM-807/14960935, (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate
| Molecular Formula | C12H11ClFN3S |
|---|---|
| Molecular Weight | 283.03 g/mol |
| LogP | 3.32498 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.03464 |
| Heavy Atoms | 18 |
| Complexity | 476.33615 |
Chemical Identifiers
| CAS Number | 625374-75-6 |
|---|---|
| SMILES | C=CCN=C(NC#N)SCC1=C(C=CC=C1Cl)F |
Product Overview
(2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate (CAS 625374-75-6), with molecular formula C12H11ClFN3S and molecular weight 283.03 g/mol. IUPAC: (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate.
Chemical Property Profile of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate
Property Insights of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate
The XLogP value of 3.32498 indicates that (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate 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'-prop-2-enylcarbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate 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'-prop-2-enylcarbamimidothioate?
The CAS number of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate is 625374-75-6.
What is the molecular formula of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate?
The molecular formula of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate is C12H11ClFN3S.
What is the molecular weight of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate?
The molecular weight of (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate is 283.03 g/mol.
Where can I buy (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate?
You can request a quote for (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate 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'-prop-2-enylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (2-chloro-6-fluorophenyl)methyl N-cyano-N'-prop-2-enylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.