N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea
TL;DR: N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea (CAS 343375-01-9) is a chemical compound with molecular formula C16H14FN3O2S and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-cyano-4,5-dimethoxyphenyl)-3-(4-fluorophenyl)thiourea
Also Known As: N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea, 3-(2-cyano-4,5-dimethoxyphenyl)-1-(4-fluorophenyl)thiourea, 6N-814, 1-(2-cyano-4,5-dimethoxyphenyl)-3-(4-fluorophenyl)thiourea, 1-(2-cyano-4,5-dimethoxy-phenyl)-3-(4-fluorophenyl)thiourea
| Molecular Formula | C16H14FN3O2S |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.52348 |
| Topological Polar Surface Area | 66.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.07907 |
| Heavy Atoms | 23 |
| Complexity | 757.15607 |
Chemical Identifiers
| CAS Number | 343375-01-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C#N)NC(=S)NC2=CC=C(C=C2)F)OC |
Product Overview
N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea (CAS 343375-01-9), with molecular formula C16H14FN3O2S and molecular weight 331.08 g/mol. IUPAC: 1-(2-cyano-4,5-dimethoxyphenyl)-3-(4-fluorophenyl)thiourea.
Chemical Property Profile of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea
Property Insights of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea
The XLogP value of 3.52348 indicates that N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea. Following Lipinski's Rule of Five, N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea has 2 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 N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea?
The CAS number of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea is 343375-01-9.
What is the molecular formula of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea?
The molecular formula of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea is C16H14FN3O2S.
What is the molecular weight of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea?
The molecular weight of N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea is 331.08 g/mol.
Where can I buy N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea?
You can request a quote for N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-cyano-4,5-dimethoxyphenyl)-N'-(4-fluorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.