![[Cyano(phenyl)methyl]urea structure](/static/products/881/88169-89-5.png)
[Cyano(phenyl)methyl]urea
TL;DR: [Cyano(phenyl)methyl]urea (CAS 88169-89-5) 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.
[cyano(phenyl)methyl]urea
Also Known As: [cyano(phenyl)methyl]urea|1-(Cyano(phenyl)methyl)urea|Urea, N-(cyanophenylmethyl)-|N-[cyano(phenyl)methyl]urea|1-[cyano(phenyl)methyl]urea|2-phenyl-2-ureidoacetonitrile|amino-N-(cyanophenylmethyl)amide|N-CYANO(PHENYL)METHYLUREA|AO-080/43378399|A3762/0159560|KJVSTGRMABKZSS-UHFFFAOYSA-N
| Molecular Formula | C9H9N3O |
|---|---|
| Molecular Weight | 175.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.07455 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 88169-89-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)NC(=O)N |
| InChIKey | KJVSTGRMABKZSS-UHFFFAOYSA-N |
Product Overview
[Cyano(phenyl)methyl]urea (CAS 88169-89-5), with molecular formula C9H9N3O and molecular weight 175.07 g/mol. IUPAC: [cyano(phenyl)methyl]urea.
Chemical Property Profile of [Cyano(phenyl)methyl]urea
Property Insights of [Cyano(phenyl)methyl]urea
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Cyano(phenyl)methyl]urea. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [Cyano(phenyl)methyl]urea. Following Lipinski's Rule of Five, [Cyano(phenyl)methyl]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 [Cyano(phenyl)methyl]urea?
The CAS number of [Cyano(phenyl)methyl]urea is 88169-89-5.
What is the molecular formula of [Cyano(phenyl)methyl]urea?
The molecular formula of [Cyano(phenyl)methyl]urea is C9H9N3O.
What is the molecular weight of [Cyano(phenyl)methyl]urea?
The molecular weight of [Cyano(phenyl)methyl]urea is 175.07 g/mol.
Where can I buy [Cyano(phenyl)methyl]urea?
You can request a quote for [Cyano(phenyl)methyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Cyano(phenyl)methyl]urea?
Yes, KEHONG BIO provides custom synthesis services for [Cyano(phenyl)methyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.