1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea
TL;DR: 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea (CAS 428841-64-9) is a chemical compound with molecular formula C14H12ClFN2S and molecular weight 294.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-3-[(4-fluorophenyl)methyl]thiourea
Also Known As: 1-(2-chlorophenyl)-3-(4-fluorobenzyl)thiourea, N-(2-chlorophenyl)-N'-(4-fluorobenzyl)thiourea, 1-(2-chlorophenyl)-3-[(4-fluorophenyl)methyl]thiourea, 3-(2-CHLOROPHENYL)-1-[(4-FLUOROPHENYL)METHYL]THIOUREA
| Molecular Formula | C14H12ClFN2S |
|---|---|
| Molecular Weight | 294.04 g/mol |
| LogP | 3.9657 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.03937 |
| Heavy Atoms | 19 |
| Complexity | 571.9136 |
Chemical Identifiers
| CAS Number | 428841-64-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=S)NCC2=CC=C(C=C2)F)Cl |
Product Overview
1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea (CAS 428841-64-9), with molecular formula C14H12ClFN2S and molecular weight 294.04 g/mol. IUPAC: 1-(2-chlorophenyl)-3-[(4-fluorophenyl)methyl]thiourea.
Chemical Property Profile of 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea
Property Insights of 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea
The XLogP value of 3.9657 indicates that 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea has 2 hydrogen bond donor(s) and 1 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 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea?
The CAS number of 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea is 428841-64-9.
What is the molecular formula of 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea?
The molecular formula of 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea is C14H12ClFN2S.
What is the molecular weight of 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea?
The molecular weight of 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea is 294.04 g/mol.
Where can I buy 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea?
You can request a quote for 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Chlorophenyl)-3-(4-fluorobenzyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.