2,2-二苯基丙腈
TL;DR: 2,2-二苯基丙腈 (CAS 5558-67-8) is a chemical compound with molecular formula C15H13N and molecular weight 207.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二苯基丙腈
2,2-diphenylpropanenitrile
Also Known As: 2,2-Diphenylpropionitrile, 2,2-Diphenylpropanenitrile, 1,1-Diphenylethyl Cyanide, 2,2-Diphenylpropiononitrile, 2,2-diphenyl propionitrile
| Molecular Formula | C15H13N |
|---|---|
| Molecular Weight | 207.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.1048 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 5558-67-8 |
|---|---|
| SMILES | CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | DPVHBXFSKLKYIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二苯基丙腈 (CAS 5558-67-8), with molecular formula C15H13N and molecular weight 207.10 g/mol. IUPAC: 2,2-diphenylpropanenitrile.
Chemical Property Profile of 2,2-二苯基丙腈
Property Insights of 2,2-二苯基丙腈
The XLogP value of 3.6 indicates that 2,2-二苯基丙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2,2-二苯基丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二苯基丙腈 has 0 hydrogen bond donor(s) and 1 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 2,2-二苯基丙腈?
The CAS number of 2,2-二苯基丙腈 is 5558-67-8.
What is the molecular formula of 2,2-二苯基丙腈?
The molecular formula of 2,2-二苯基丙腈 is C15H13N.
What is the molecular weight of 2,2-二苯基丙腈?
The molecular weight of 2,2-二苯基丙腈 is 207.10 g/mol.
Where can I buy 2,2-二苯基丙腈?
You can request a quote for 2,2-二苯基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二苯基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二苯基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.