3-(2-Chlorobenzyl)-1,1-diethylurea
TL;DR: 3-(2-Chlorobenzyl)-1,1-diethylurea (CAS 838899-88-0) is a chemical compound with molecular formula C12H17ClN2O and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]-1,1-diethylurea
Also Known As: 3-(2-chlorobenzyl)-1,1-diethylurea, 3-[(2-chlorophenyl)methyl]-1,1-diethylurea, N'-[(2-Chlorophenyl)methyl]-N,N-diethylurea, AB00028321-01, (diethylamino)-N-[(2-chlorophenyl)methyl]carboxamide
| Molecular Formula | C12H17ClN2O |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 2.8914 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.10294 |
| Heavy Atoms | 16 |
| Complexity | 350.62692 |
Chemical Identifiers
| CAS Number | 838899-88-0 |
|---|---|
| SMILES | CCN(CC)C(=O)NCC1=CC=CC=C1Cl |
Product Overview
3-(2-Chlorobenzyl)-1,1-diethylurea (CAS 838899-88-0), with molecular formula C12H17ClN2O and molecular weight 240.10 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-1,1-diethylurea.
Chemical Property Profile of 3-(2-Chlorobenzyl)-1,1-diethylurea
Property Insights of 3-(2-Chlorobenzyl)-1,1-diethylurea
The XLogP value of 2.8914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Chlorobenzyl)-1,1-diethylurea. With a topological polar surface area (TPSA) of 32.34 Ų, 3-(2-Chlorobenzyl)-1,1-diethylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chlorobenzyl)-1,1-diethylurea has 1 hydrogen bond donor(s) and 1 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 3-(2-Chlorobenzyl)-1,1-diethylurea?
The CAS number of 3-(2-Chlorobenzyl)-1,1-diethylurea is 838899-88-0.
What is the molecular formula of 3-(2-Chlorobenzyl)-1,1-diethylurea?
The molecular formula of 3-(2-Chlorobenzyl)-1,1-diethylurea is C12H17ClN2O.
What is the molecular weight of 3-(2-Chlorobenzyl)-1,1-diethylurea?
The molecular weight of 3-(2-Chlorobenzyl)-1,1-diethylurea is 240.10 g/mol.
Where can I buy 3-(2-Chlorobenzyl)-1,1-diethylurea?
You can request a quote for 3-(2-Chlorobenzyl)-1,1-diethylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chlorobenzyl)-1,1-diethylurea?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chlorobenzyl)-1,1-diethylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.