![[4-(Cyanomethyl)phenyl]urea structure](/static/products/221/221291-60-7.png)
[4-(Cyanomethyl)phenyl]urea
TL;DR: [4-(Cyanomethyl)phenyl]urea (CAS 221291-60-7) is a chemical compound with molecular formula C9H9N3O and molecular weight 175.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(cyanomethyl)phenyl]urea
Also Known As: Maybridge1_002775, (4-cyanomethyl-phenyl)-urea, [4-(cyanomethyl)phenyl]urea, DivK1c_001527, CDS1_000487
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 1.24328 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 336.8726 |
Chemical Identifiers
| CAS Number | 221291-60-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC#N)NC(=O)N |
Product Overview
[4-(Cyanomethyl)phenyl]urea (CAS 221291-60-7), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: [4-(cyanomethyl)phenyl]urea.
Chemical Property Profile of [4-(Cyanomethyl)phenyl]urea
Property Insights of [4-(Cyanomethyl)phenyl]urea
The XLogP value of 1.24328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(Cyanomethyl)phenyl]urea. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(Cyanomethyl)phenyl]urea. Following Lipinski's Rule of Five, [4-(Cyanomethyl)phenyl]urea has 2 hydrogen bond donor(s) and 2 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 [4-(Cyanomethyl)phenyl]urea?
The CAS number of [4-(Cyanomethyl)phenyl]urea is 221291-60-7.
What is the molecular formula of [4-(Cyanomethyl)phenyl]urea?
The molecular formula of [4-(Cyanomethyl)phenyl]urea is C9H9N3O.
What is the molecular weight of [4-(Cyanomethyl)phenyl]urea?
The molecular weight of [4-(Cyanomethyl)phenyl]urea is 175.07 g/mol.
Where can I buy [4-(Cyanomethyl)phenyl]urea?
You can request a quote for [4-(Cyanomethyl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(Cyanomethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for [4-(Cyanomethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.