Acetonitrile, (p-chloroanilino)phenyl-
TL;DR: Acetonitrile, (p-chloroanilino)phenyl- (CAS 4686-05-9) is a chemical compound with molecular formula C14H11ClN2 and molecular weight 242.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloroanilino)-2-phenylacetonitrile
Also Known As: Acetonitrile, (p-chloroanilino)phenyl-, Phenyl(4-chloroanilino)acetonitrile, (4-Chloroanilino)(phenyl)acetonitrile, H-47, 2-(4-chloroanilino)-2-phenylacetonitrile
| Molecular Formula | C14H11ClN2 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 4.01678 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.06108 |
| Heavy Atoms | 17 |
| Complexity | 514.1685 |
Chemical Identifiers
| CAS Number | 4686-05-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)NC2=CC=C(C=C2)Cl |
Product Overview
Acetonitrile, (p-chloroanilino)phenyl- (CAS 4686-05-9), with molecular formula C14H11ClN2 and molecular weight 242.06 g/mol. IUPAC: 2-(4-chloroanilino)-2-phenylacetonitrile.
Chemical Property Profile of Acetonitrile, (p-chloroanilino)phenyl-
Property Insights of Acetonitrile, (p-chloroanilino)phenyl-
The XLogP value of 4.01678 indicates that Acetonitrile, (p-chloroanilino)phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.82 Ų, Acetonitrile, (p-chloroanilino)phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, (p-chloroanilino)phenyl- 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 Acetonitrile, (p-chloroanilino)phenyl-?
The CAS number of Acetonitrile, (p-chloroanilino)phenyl- is 4686-05-9.
What is the molecular formula of Acetonitrile, (p-chloroanilino)phenyl-?
The molecular formula of Acetonitrile, (p-chloroanilino)phenyl- is C14H11ClN2.
What is the molecular weight of Acetonitrile, (p-chloroanilino)phenyl-?
The molecular weight of Acetonitrile, (p-chloroanilino)phenyl- is 242.06 g/mol.
Where can I buy Acetonitrile, (p-chloroanilino)phenyl-?
You can request a quote for Acetonitrile, (p-chloroanilino)phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, (p-chloroanilino)phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, (p-chloroanilino)phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.