1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea
TL;DR: 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea (CAS 86956-75-4) is a chemical compound with molecular formula C22H21ClN2S and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibenzyl-3-(3-chloro-4-methylphenyl)thiourea
Also Known As: 1,1-dibenzyl-3-(3-chloro-4-methylphenyl)thiourea, N,N-Dibenzyl-N'-(3-chloro-4-methylphenyl)thiourea, Thiourea,N'-(3-chloro-4-methylphenyl)-N,N-bis(phenylmethyl), Thiourea, N'-(3-chloro-4-methylphenyl)-N,N-bis(phenylmethyl)-
| Molecular Formula | C22H21ClN2S |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 6.04762 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.1114 |
| Heavy Atoms | 26 |
| Complexity | 824.32544 |
Chemical Identifiers
| CAS Number | 86956-75-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)Cl |
Product Overview
1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea (CAS 86956-75-4), with molecular formula C22H21ClN2S and molecular weight 380.11 g/mol. IUPAC: 1,1-dibenzyl-3-(3-chloro-4-methylphenyl)thiourea.
Chemical Property Profile of 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea
Property Insights of 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea
The XLogP value of 6.04762 indicates that 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea?
The CAS number of 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea is 86956-75-4.
What is the molecular formula of 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea?
The molecular formula of 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea is C22H21ClN2S.
What is the molecular weight of 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea?
The molecular weight of 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea is 380.11 g/mol.
Where can I buy 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea?
You can request a quote for 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dibenzyl-3-(3-chloro-4-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.