Anilino(3-hydroxyphenyl)acetonitrile
TL;DR: Anilino(3-hydroxyphenyl)acetonitrile (CAS 951886-26-3) is a chemical compound with molecular formula C14H12N2O and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-2-(3-hydroxyphenyl)acetonitrile
Also Known As: Totarol, 2-(3-hydroxyphenyl)-2-(phenylamino)acetonitrile, (3-Hydroxyphenyl)(phenylamino)acetonitrile, 2-anilino-2-(3-hydroxyphenyl)acetonitrile, Anilino(3-hydroxyphenyl)acetonitrile
| Molecular Formula | C14H12N2O |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 3.06898 |
| Topological Polar Surface Area | 56.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.09496 |
| Heavy Atoms | 17 |
| Complexity | 531.4185 |
Chemical Identifiers
| CAS Number | 951886-26-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(C#N)C2=CC(=CC=C2)O |
Product Overview
Anilino(3-hydroxyphenyl)acetonitrile (CAS 951886-26-3), with molecular formula C14H12N2O and molecular weight 224.09 g/mol. IUPAC: 2-anilino-2-(3-hydroxyphenyl)acetonitrile.
Chemical Property Profile of Anilino(3-hydroxyphenyl)acetonitrile
Property Insights of Anilino(3-hydroxyphenyl)acetonitrile
The XLogP value of 3.06898 indicates that Anilino(3-hydroxyphenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.05 Ų, Anilino(3-hydroxyphenyl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anilino(3-hydroxyphenyl)acetonitrile has 2 hydrogen bond donor(s) and 3 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 Anilino(3-hydroxyphenyl)acetonitrile?
The CAS number of Anilino(3-hydroxyphenyl)acetonitrile is 951886-26-3.
What is the molecular formula of Anilino(3-hydroxyphenyl)acetonitrile?
The molecular formula of Anilino(3-hydroxyphenyl)acetonitrile is C14H12N2O.
What is the molecular weight of Anilino(3-hydroxyphenyl)acetonitrile?
The molecular weight of Anilino(3-hydroxyphenyl)acetonitrile is 224.09 g/mol.
Where can I buy Anilino(3-hydroxyphenyl)acetonitrile?
You can request a quote for Anilino(3-hydroxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anilino(3-hydroxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Anilino(3-hydroxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.