N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea
TL;DR: N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea (CAS 306730-50-7) is a chemical compound with molecular formula C22H20ClFN2O2S and molecular weight 430.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1-(3-chloro-4-fluorophenyl)-1-[(2-hydroxy-3-methoxyphenyl)methyl]thiourea
Also Known As: TimTec1_000521, AA-768/31453016, N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea, 1-benzyl-3-(3-chloro-4-fluorophenyl)-3-[(2-hydroxy-3-methoxyphenyl)methyl]thiourea, 3-benzyl-1-(3-chloro-4-fluorophenyl)-1-[(2-hydroxy-3-methoxyphenyl)methyl]thiourea
| Molecular Formula | C22H20ClFN2O2S |
|---|---|
| Molecular Weight | 430.09 g/mol |
| LogP | 5.2746 |
| Topological Polar Surface Area | 44.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.0918 |
| Heavy Atoms | 29 |
| Complexity | 1001.35736 |
Chemical Identifiers
| CAS Number | 306730-50-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1O)CN(C2=CC(=C(C=C2)F)Cl)C(=S)NCC3=CC=CC=C3 |
Product Overview
N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea (CAS 306730-50-7), with molecular formula C22H20ClFN2O2S and molecular weight 430.09 g/mol. IUPAC: 3-benzyl-1-(3-chloro-4-fluorophenyl)-1-[(2-hydroxy-3-methoxyphenyl)methyl]thiourea.
Chemical Property Profile of N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea
Property Insights of N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea
The XLogP value of 5.2746 indicates that N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.73 Ų, N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea?
The CAS number of N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea is 306730-50-7.
What is the molecular formula of N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea?
The molecular formula of N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea is C22H20ClFN2O2S.
What is the molecular weight of N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea?
The molecular weight of N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea is 430.09 g/mol.
Where can I buy N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea?
You can request a quote for N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-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'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N'-benzyl-N-(3-chloro-4-fluorophenyl)-N-(2-hydroxy-3-methoxybenzyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.