acetonitrile structure](/static/products/586/586982-64-1.png)
[4-(Benzyloxy)phenyl](phenylamino)acetonitrile
TL;DR: [4-(Benzyloxy)phenyl](phenylamino)acetonitrile (CAS 586982-64-1) is a chemical compound with molecular formula C21H18N2O and molecular weight 314.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-2-(4-phenylmethoxyphenyl)acetonitrile
Also Known As: [4-(benzyloxy)phenyl](phenylamino)acetonitrile|2-anilino-2-(4-phenylmethoxyphenyl)acetonitrile|2-(4-(benzyloxy)phenyl)-2-(phenylamino)acetonitrile
| Molecular Formula | C21H18N2O |
|---|---|
| Molecular Weight | 314.14 g/mol |
| LogP | 4.94238 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 314.1419 |
| Heavy Atoms | 24 |
| Complexity | 792.75226 |
Chemical Identifiers
| CAS Number | 586982-64-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C#N)NC3=CC=CC=C3 |
Product Overview
[4-(Benzyloxy)phenyl](phenylamino)acetonitrile (CAS 586982-64-1), with molecular formula C21H18N2O and molecular weight 314.14 g/mol. IUPAC: 2-anilino-2-(4-phenylmethoxyphenyl)acetonitrile.
Chemical Property Profile of [4-(Benzyloxy)phenyl](phenylamino)acetonitrile
Property Insights of [4-(Benzyloxy)phenyl](phenylamino)acetonitrile
The XLogP value of 4.94238 indicates that [4-(Benzyloxy)phenyl](phenylamino)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.05 Ų, [4-(Benzyloxy)phenyl](phenylamino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(Benzyloxy)phenyl](phenylamino)acetonitrile has 1 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 [4-(Benzyloxy)phenyl](phenylamino)acetonitrile?
The CAS number of [4-(Benzyloxy)phenyl](phenylamino)acetonitrile is 586982-64-1.
What is the molecular formula of [4-(Benzyloxy)phenyl](phenylamino)acetonitrile?
The molecular formula of [4-(Benzyloxy)phenyl](phenylamino)acetonitrile is C21H18N2O.
What is the molecular weight of [4-(Benzyloxy)phenyl](phenylamino)acetonitrile?
The molecular weight of [4-(Benzyloxy)phenyl](phenylamino)acetonitrile is 314.14 g/mol.
Where can I buy [4-(Benzyloxy)phenyl](phenylamino)acetonitrile?
You can request a quote for [4-(Benzyloxy)phenyl](phenylamino)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(Benzyloxy)phenyl](phenylamino)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [4-(Benzyloxy)phenyl](phenylamino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.