N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea
TL;DR: N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea (CAS 708280-85-7) is a chemical compound with molecular formula C15H14ClFN2OS and molecular weight 324.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]thiourea
Also Known As: 1-(3-chloro-4-fluorophenyl)-3-(4-methoxybenzyl)thiourea, N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea, 1-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]thiourea, [(3-chloro-4-fluorophenyl)amino]{[(4-methoxyphenyl)methyl]amino}methane-1-thio ne
| Molecular Formula | C15H14ClFN2OS |
|---|---|
| Molecular Weight | 324.05 g/mol |
| LogP | 3.9743 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.04993 |
| Heavy Atoms | 21 |
| Complexity | 634.0708 |
Chemical Identifiers
| CAS Number | 708280-85-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=S)NC2=CC(=C(C=C2)F)Cl |
Product Overview
N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea (CAS 708280-85-7), with molecular formula C15H14ClFN2OS and molecular weight 324.05 g/mol. IUPAC: 1-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]thiourea.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea
Property Insights of N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea
The XLogP value of 3.9743 indicates that N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.29 Ų, N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea has 2 hydrogen bond donor(s) and 2 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-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea?
The CAS number of N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea is 708280-85-7.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea?
The molecular formula of N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea is C15H14ClFN2OS.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea?
The molecular weight of N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea is 324.05 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea?
You can request a quote for N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-N'-(4-methoxybenzyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.