3-Hydroxy-3,3-diphenylpropanenitrile
TL;DR: 3-Hydroxy-3,3-diphenylpropanenitrile (CAS 35470-61-2) is a chemical compound with molecular formula C15H13NO and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3,3-diphenylpropanenitrile
Also Known As: 3-hydroxy-3,3-diphenylpropanenitrile, Benzilonitrile, 3-hydroxy-3,3-diphenyl-propanenitrile, 3-Hydroxy-3,3-diphenylpropionitrile, Hydracrylonitrile, 3,3-diphenyl-
| Molecular Formula | C15H13NO |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.09972 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 35470-61-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC#N)(C2=CC=CC=C2)O |
| InChIKey | OSGUMQGPGBZSGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-3,3-diphenylpropanenitrile (CAS 35470-61-2), with molecular formula C15H13NO and molecular weight 223.10 g/mol. IUPAC: 3-hydroxy-3,3-diphenylpropanenitrile.
Chemical Property Profile of 3-Hydroxy-3,3-diphenylpropanenitrile
Property Insights of 3-Hydroxy-3,3-diphenylpropanenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-3,3-diphenylpropanenitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 3-Hydroxy-3,3-diphenylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3,3-diphenylpropanenitrile 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 3-Hydroxy-3,3-diphenylpropanenitrile?
The CAS number of 3-Hydroxy-3,3-diphenylpropanenitrile is 35470-61-2.
What is the molecular formula of 3-Hydroxy-3,3-diphenylpropanenitrile?
The molecular formula of 3-Hydroxy-3,3-diphenylpropanenitrile is C15H13NO.
What is the molecular weight of 3-Hydroxy-3,3-diphenylpropanenitrile?
The molecular weight of 3-Hydroxy-3,3-diphenylpropanenitrile is 223.10 g/mol.
Where can I buy 3-Hydroxy-3,3-diphenylpropanenitrile?
You can request a quote for 3-Hydroxy-3,3-diphenylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-3,3-diphenylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3,3-diphenylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.