N-(4-methylbenzyl)urea
TL;DR: N-(4-methylbenzyl)urea (CAS 54582-34-2) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)methylurea
Also Known As: N-(4-methylbenzyl)urea, 1-(4-Methylbenzyl)urea, [(4-methylphenyl)methyl]urea, methylbenzylurea, (4-methylphenyl)methylurea
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 1.16332 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 266.36197 |
Chemical Identifiers
| CAS Number | 54582-34-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)N |
Product Overview
N-(4-methylbenzyl)urea (CAS 54582-34-2), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: (4-methylphenyl)methylurea.
Chemical Property Profile of N-(4-methylbenzyl)urea
Property Insights of N-(4-methylbenzyl)urea
The XLogP value of 1.16332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-methylbenzyl)urea. With a topological polar surface area (TPSA) of 55.12 Ų, N-(4-methylbenzyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-methylbenzyl)urea 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 N-(4-methylbenzyl)urea?
The CAS number of N-(4-methylbenzyl)urea is 54582-34-2.
What is the molecular formula of N-(4-methylbenzyl)urea?
The molecular formula of N-(4-methylbenzyl)urea is C9H12N2O.
What is the molecular weight of N-(4-methylbenzyl)urea?
The molecular weight of N-(4-methylbenzyl)urea is 164.09 g/mol.
Where can I buy N-(4-methylbenzyl)urea?
You can request a quote for N-(4-methylbenzyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-methylbenzyl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-(4-methylbenzyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.