4-氨基-2-氯-α-苯基苯乙腈
TL;DR: 4-氨基-2-氯-α-苯基苯乙腈 (CAS 4760-53-6) 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.
4-氨基-2-氯-α-苯基苯乙腈
2-(4-amino-2-chlorophenyl)-2-phenylacetonitrile
Also Known As: 2-(4-amino-2-chlorophenyl)-2-phenylacetonitrile, (4-amino-2-chlorophenyl)(phenyl)acetonitrile, 4-AMINO-2-CHLORODIPHENYLACETONITRILE, (4-Amino-2-chlorophenyl)phenylacetonitrile, (4-amino-2-chlorophenyl)phenyl-acetonitril
| Molecular Formula | C14H11ClN2 |
|---|---|
| Molecular Weight | 242.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.06108 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 4760-53-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=C(C=C(C=C2)N)Cl |
| InChIKey | ISOPQUKKXCXJIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基-2-氯-α-苯基苯乙腈 (CAS 4760-53-6), with molecular formula C14H11ClN2 and molecular weight 242.06 g/mol. IUPAC: 2-(4-amino-2-chlorophenyl)-2-phenylacetonitrile.
Chemical Property Profile of 4-氨基-2-氯-α-苯基苯乙腈
Property Insights of 4-氨基-2-氯-α-苯基苯乙腈
The XLogP value of 3.2 indicates that 4-氨基-2-氯-α-苯基苯乙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 4-氨基-2-氯-α-苯基苯乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氨基-2-氯-α-苯基苯乙腈 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 4-氨基-2-氯-α-苯基苯乙腈?
The CAS number of 4-氨基-2-氯-α-苯基苯乙腈 is 4760-53-6.
What is the molecular formula of 4-氨基-2-氯-α-苯基苯乙腈?
The molecular formula of 4-氨基-2-氯-α-苯基苯乙腈 is C14H11ClN2.
What is the molecular weight of 4-氨基-2-氯-α-苯基苯乙腈?
The molecular weight of 4-氨基-2-氯-α-苯基苯乙腈 is 242.06 g/mol.
Where can I buy 4-氨基-2-氯-α-苯基苯乙腈?
You can request a quote for 4-氨基-2-氯-α-苯基苯乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基-2-氯-α-苯基苯乙腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基-2-氯-α-苯基苯乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.