4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate
TL;DR: 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate (CAS 445385-77-3) is a chemical compound with molecular formula C12H14FN3S and molecular weight 251.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
Also Known As: AM-807/14960997, 4-fluorobenzyl N'-cyano-N-isopropylimidothiocarbamate, 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate, (Z)-4-fluorobenzyl N'-cyano-N-isopropylcarbamimidothioate, (4-fluorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate
| Molecular Formula | C12H14FN3S |
|---|---|
| Molecular Weight | 251.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.08925 |
| Heavy Atoms | 17 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 445385-77-3 |
|---|---|
| SMILES | CC(C)N=C(NC#N)SCC1=CC=C(C=C1)F |
| InChIKey | SAZFRGLPJIVORK-UHFFFAOYSA-N |
Product Overview
4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate (CAS 445385-77-3), with molecular formula C12H14FN3S and molecular weight 251.09 g/mol. IUPAC: (4-fluorophenyl)methyl N-cyano-N'-propan-2-ylcarbamimidothioate.
Chemical Property Profile of 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate
Property Insights of 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate
The XLogP value of 3.0 indicates that 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate. Following Lipinski's Rule of Five, 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate 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 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate?
The CAS number of 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate is 445385-77-3.
What is the molecular formula of 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate?
The molecular formula of 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate is C12H14FN3S.
What is the molecular weight of 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate?
The molecular weight of 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate is 251.09 g/mol.
Where can I buy 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate?
You can request a quote for 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 4-fluorobenzyl N'-cyano-N-propan-2-ylcarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.