1-(4-Chlorobenzyl)-3-methylurea
TL;DR: 1-(4-Chlorobenzyl)-3-methylurea (CAS 154397-77-0) is a chemical compound with molecular formula C9H11ClN2O and molecular weight 198.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3-methylurea
Also Known As: 1-(4-chlorobenzyl)-3-methylurea, NCIOpen2_000658, N-(4-chlorobenzyl)-N'-methylurea, KST-1B0670, 1-[(4-chlorophenyl)methyl]-3-methylurea
| Molecular Formula | C9H11ClN2O |
|---|---|
| Molecular Weight | 198.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.05598 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 154397-77-0 |
|---|---|
| SMILES | CNC(=O)NCC1=CC=C(C=C1)Cl |
| InChIKey | HVAYRAHLBHKAFM-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorobenzyl)-3-methylurea (CAS 154397-77-0), with molecular formula C9H11ClN2O and molecular weight 198.06 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3-methylurea.
Chemical Property Profile of 1-(4-Chlorobenzyl)-3-methylurea
Property Insights of 1-(4-Chlorobenzyl)-3-methylurea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorobenzyl)-3-methylurea. With a topological polar surface area (TPSA) of 41.1 Ų, 1-(4-Chlorobenzyl)-3-methylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorobenzyl)-3-methylurea has 2 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 1-(4-Chlorobenzyl)-3-methylurea?
The CAS number of 1-(4-Chlorobenzyl)-3-methylurea is 154397-77-0.
What is the molecular formula of 1-(4-Chlorobenzyl)-3-methylurea?
The molecular formula of 1-(4-Chlorobenzyl)-3-methylurea is C9H11ClN2O.
What is the molecular weight of 1-(4-Chlorobenzyl)-3-methylurea?
The molecular weight of 1-(4-Chlorobenzyl)-3-methylurea is 198.06 g/mol.
Where can I buy 1-(4-Chlorobenzyl)-3-methylurea?
You can request a quote for 1-(4-Chlorobenzyl)-3-methylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorobenzyl)-3-methylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorobenzyl)-3-methylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.