3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate
TL;DR: 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate (CAS 445385-50-2) is a chemical compound with molecular formula C15H11F2N3S and molecular weight 303.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-fluorophenyl)methyl N-cyano-N'-(4-fluorophenyl)carbamimidothioate
Also Known As: 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate, 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)imidothiocarbamate, AB01330685-02, AM-807/14960502, (3-fluorophenyl)methyl N-cyano-N'-(4-fluorophenyl)carbamimidothioate
| Molecular Formula | C15H11F2N3S |
|---|---|
| Molecular Weight | 303.06 g/mol |
| LogP | 3.95638 |
| Topological Polar Surface Area | 48.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.06418 |
| Heavy Atoms | 21 |
| Complexity | 678.06323 |
Chemical Identifiers
| CAS Number | 445385-50-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CSC(=NC2=CC=C(C=C2)F)NC#N |
Product Overview
3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate (CAS 445385-50-2), with molecular formula C15H11F2N3S and molecular weight 303.06 g/mol. IUPAC: (3-fluorophenyl)methyl N-cyano-N'-(4-fluorophenyl)carbamimidothioate.
Chemical Property Profile of 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate
Property Insights of 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate
The XLogP value of 3.95638 indicates that 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.18 Ų, 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate 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 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate?
The CAS number of 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate is 445385-50-2.
What is the molecular formula of 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate?
The molecular formula of 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate is C15H11F2N3S.
What is the molecular weight of 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate?
The molecular weight of 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate is 303.06 g/mol.
Where can I buy 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate?
You can request a quote for 3-fluorobenzyl N'-cyano-N-(4-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-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 3-fluorobenzyl N'-cyano-N-(4-fluorophenyl)carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.