N,2-Diphenylglycinonitrile
TL;DR: N,2-Diphenylglycinonitrile (CAS 4553-59-7) is a chemical compound with molecular formula C14H12N2 and molecular weight 208.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-2-phenylacetonitrile
Also Known As: PHENYL-PHENYLAMINO-ACETONITRILE, 2-phenyl-2-(phenylamino)acetonitrile, Phenyl(phenylamino)acetonitrile, 2-anilino-2-phenylacetonitrile, Acetonitrile, anilinophenyl-
| Molecular Formula | C14H12N2 |
|---|---|
| Molecular Weight | 208.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10005 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 4553-59-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)NC2=CC=CC=C2 |
| InChIKey | XOMUKMGWTCEDRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,2-Diphenylglycinonitrile (CAS 4553-59-7), with molecular formula C14H12N2 and molecular weight 208.10 g/mol. IUPAC: 2-anilino-2-phenylacetonitrile.
Chemical Property Profile of N,2-Diphenylglycinonitrile
Property Insights of N,2-Diphenylglycinonitrile
The XLogP value of 3.4 indicates that N,2-Diphenylglycinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.8 Ų, N,2-Diphenylglycinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,2-Diphenylglycinonitrile has 1 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 N,2-Diphenylglycinonitrile?
The CAS number of N,2-Diphenylglycinonitrile is 4553-59-7.
What is the molecular formula of N,2-Diphenylglycinonitrile?
The molecular formula of N,2-Diphenylglycinonitrile is C14H12N2.
What is the molecular weight of N,2-Diphenylglycinonitrile?
The molecular weight of N,2-Diphenylglycinonitrile is 208.10 g/mol.
Where can I buy N,2-Diphenylglycinonitrile?
You can request a quote for N,2-Diphenylglycinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,2-Diphenylglycinonitrile?
Yes, KEHONG BIO provides custom synthesis services for N,2-Diphenylglycinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.