RefChem:387499
TL;DR: RefChem:387499 (CAS 78393-39-2) is a chemical compound with molecular formula C22H29Cl2N3O2 and molecular weight 437.16 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-methoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride
Also Known As: Urea, 1-(6-chloro-o-tolyl)-3-(4-methoxybenzyl)-3-(2-(pyrrolidinyl)ethyl)-, hydrochloride, 1-(6-Chloro-o-tolyl)-3-(4-methoxybenzyl)-3-(2-(pyrrolidinyl)ethyl)urea hydrochloride, 3-(2-chloro-6-methylphenyl)-1-[(4-methoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea hydrochloride, N'-(2-Chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-N-[2-(pyrrolidin-1-yl)ethyl]urea--hydrogen chloride (1/1), Urea, N'-(2-chloro-6-methylphenyl)-N-[(4-methoxyphenyl)methyl]-N-[2-(1-pyrrolidinyl)ethyl]-, monohydrochloride
| Molecular Formula | C22H29Cl2N3O2 |
|---|---|
| Molecular Weight | 437.16 g/mol |
| LogP | 5.20872 |
| Topological Polar Surface Area | 44.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 437.1637 |
| Heavy Atoms | 29 |
| Complexity | 772.8944 |
Chemical Identifiers
| CAS Number | 78393-39-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)NC(=O)N(CCN2CCCC2)CC3=CC=C(C=C3)OC.Cl |
Product Overview
RefChem:387499 (CAS 78393-39-2), with molecular formula C22H29Cl2N3O2 and molecular weight 437.16 g/mol. IUPAC: 3-(2-chloro-6-methylphenyl)-1-[(4-methoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea;hydrochloride.
Chemical Property Profile of RefChem:387499
Property Insights of RefChem:387499
The XLogP value of 5.20872 indicates that RefChem:387499 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.81 Ų, RefChem:387499 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:387499 has 1 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 RefChem:387499?
The CAS number of RefChem:387499 is 78393-39-2.
What is the molecular formula of RefChem:387499?
The molecular formula of RefChem:387499 is C22H29Cl2N3O2.
What is the molecular weight of RefChem:387499?
The molecular weight of RefChem:387499 is 437.16 g/mol.
Where can I buy RefChem:387499?
You can request a quote for RefChem:387499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:387499?
Yes, KEHONG BIO provides custom synthesis services for RefChem:387499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.