RefChem:387470
TL;DR: RefChem:387470 (CAS 78393-38-1) is a chemical compound with molecular formula C21H26Cl3N3O and molecular weight 441.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloro-6-methylphenyl)-1-[(4-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride
Also Known As: C 5323, 1-(4-Chlorobenzyl)-3-(6-chloro-o-tolyl)-1-(2-pyrrolidinylethyl)urea hydrochloride, Urea, 1-(4-chlorobenzyl)-3-(6-chloro-o-tolyl)-1-(2-pyrrolidinylethyl)-, hydrochloride, Urea, N'-(2-chloro-6-methylphenyl)-N-((4-chlorophenyl)methyl)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride, 3-(2-chloro-6-methylphenyl)-1-[(4-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea hydrochloride
| Molecular Formula | C21H26Cl3N3O |
|---|---|
| Molecular Weight | 441.11 g/mol |
| LogP | 5.85352 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.11414 |
| Heavy Atoms | 28 |
| Complexity | 756.71533 |
Chemical Identifiers
| CAS Number | 78393-38-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN2CCCC2)CC3=CC=C(C=C3)Cl.Cl |
Product Overview
RefChem:387470 (CAS 78393-38-1), with molecular formula C21H26Cl3N3O and molecular weight 441.11 g/mol. IUPAC: 3-(2-chloro-6-methylphenyl)-1-[(4-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride.
Chemical Property Profile of RefChem:387470
Property Insights of RefChem:387470
The XLogP value of 5.85352 indicates that RefChem:387470 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, RefChem:387470 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:387470 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:387470?
The CAS number of RefChem:387470 is 78393-38-1.
What is the molecular formula of RefChem:387470?
The molecular formula of RefChem:387470 is C21H26Cl3N3O.
What is the molecular weight of RefChem:387470?
The molecular weight of RefChem:387470 is 441.11 g/mol.
Where can I buy RefChem:387470?
You can request a quote for RefChem:387470 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:387470?
Yes, KEHONG BIO provides custom synthesis services for RefChem:387470 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.