5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile
TL;DR: 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile (CAS 20633-33-4) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-4,4-dimethyl-5-phenylpentanenitrile
Also Known As: 5-hydroxy-4,4-dimethyl-5-phenylpentanenitrile
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 20633-33-4 |
|---|---|
| SMILES | CC(C)(CCC#N)C(C1=CC=CC=C1)O |
| InChIKey | GAJSXQLOMIVZLT-UHFFFAOYSA-N |
Product Overview
5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile (CAS 20633-33-4), with molecular formula C13H17NO and molecular weight 203.13 g/mol. IUPAC: 5-hydroxy-4,4-dimethyl-5-phenylpentanenitrile.
Chemical Property Profile of 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile
Property Insights of 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile. With a topological polar surface area (TPSA) of 44.0 Ų, 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile 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 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile?
The CAS number of 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile is 20633-33-4.
What is the molecular formula of 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile?
The molecular formula of 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile is C13H17NO.
What is the molecular weight of 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile?
The molecular weight of 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile is 203.13 g/mol.
Where can I buy 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile?
You can request a quote for 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-4,4-dimethyl-5-phenylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.