(3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
TL;DR: (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate (CAS 445385-43-3) is a chemical compound with molecular formula C16H14FN3OS and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
Also Known As: 3-methoxybenzyl N'-cyano-N-(3-fluorophenyl)imidothiocarbamate, AM-807/14960433, (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
| Molecular Formula | C16H14FN3OS |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 3.82588 |
| Topological Polar Surface Area | 57.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.08417 |
| Heavy Atoms | 22 |
| Complexity | 712.5323 |
Chemical Identifiers
| CAS Number | 445385-43-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC(=NC2=CC(=CC=C2)F)NC#N |
Product Overview
(3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate (CAS 445385-43-3), with molecular formula C16H14FN3OS and molecular weight 315.08 g/mol. IUPAC: (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate.
Chemical Property Profile of (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
Property Insights of (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate
The XLogP value of 3.82588 indicates that (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.41 Ų, (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate has 1 hydrogen bond donor(s) and 4 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 (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
The CAS number of (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate is 445385-43-3.
What is the molecular formula of (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
The molecular formula of (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate is C16H14FN3OS.
What is the molecular weight of (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
The molecular weight of (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate is 315.08 g/mol.
Where can I buy (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
You can request a quote for (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (3-methoxyphenyl)methyl N-cyano-N'-(3-fluorophenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.