N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea
TL;DR: N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea (CAS 664968-80-3) is a chemical compound with molecular formula C16H16ClFN2O2S and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methyl]thiourea
Also Known As: AJ-292/41694413, N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea, 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methyl]thiourea, 1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-fluorobenzyl)thiourea, [(4-chloro-2,5-dimethoxyphenyl)amino]{[(4-fluorophenyl)methyl]amino}methane-1- thione
| Molecular Formula | C16H16ClFN2O2S |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 3.9829 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.06052 |
| Heavy Atoms | 23 |
| Complexity | 695.22473 |
Chemical Identifiers
| CAS Number | 664968-80-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=S)NCC2=CC=C(C=C2)F)OC)Cl |
Product Overview
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea (CAS 664968-80-3), with molecular formula C16H16ClFN2O2S and molecular weight 354.06 g/mol. IUPAC: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)methyl]thiourea.
Chemical Property Profile of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea
Property Insights of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea
The XLogP value of 3.9829 indicates that N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.52 Ų, N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea has 2 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 N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea?
The CAS number of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea is 664968-80-3.
What is the molecular formula of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea?
The molecular formula of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea is C16H16ClFN2O2S.
What is the molecular weight of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea?
The molecular weight of N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea is 354.06 g/mol.
Where can I buy N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea?
You can request a quote for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(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 N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-fluorobenzyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.