3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile
TL;DR: 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile (CAS 100389-85-3) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2,2-dimethyl-3-phenylbutanenitrile
Also Known As: 3-hydroxy-2,2-dimethyl-3-phenylbutanenitrile, 2,2-Dimethyl-3-hydroxy-3-phenylbutyronitrile, J3.203.009B, beta-Hydroxy-alpha,alpha,beta-trimethylbenzenepropanenitrile
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 2.44388 |
| Topological Polar Surface Area | 44.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 346.33453 |
Chemical Identifiers
| CAS Number | 100389-85-3 |
|---|---|
| SMILES | CC(C)(C#N)C(C)(C1=CC=CC=C1)O |
Product Overview
3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile (CAS 100389-85-3), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 3-hydroxy-2,2-dimethyl-3-phenylbutanenitrile.
Chemical Property Profile of 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile
Property Insights of 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile
The XLogP value of 2.44388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile. With a topological polar surface area (TPSA) of 44.02 Ų, 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile 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-2,2-dimethyl-3-phenylbutanenitrile?
The CAS number of 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile is 100389-85-3.
What is the molecular formula of 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile?
The molecular formula of 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile is C12H15NO.
What is the molecular weight of 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile?
The molecular weight of 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile is 189.12 g/mol.
Where can I buy 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile?
You can request a quote for 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2,2-dimethyl-3-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.