(2R)-3-methyl-2-phenylbutanenitrile
TL;DR: (2R)-3-methyl-2-phenylbutanenitrile (CAS 161967-83-5) is a chemical compound with molecular formula C11H13N and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-methyl-2-phenylbutanenitrile
Also Known As: (2R)-3-methyl-2-phenylbutanenitrile, (R)-2-Phenyl-3-methylbutanenitrile, J1.294.713E, (I+/-R)-I+/--(1-Methylethyl)benzeneacetonitrile, Benzeneacetonitrile, alpha-(1-methylethyl)-, (alphaR)-
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 2.94978 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 268.80563 |
Chemical Identifiers
| CAS Number | 161967-83-5 |
|---|---|
| SMILES | CC(C)[C@@H](C#N)C1=CC=CC=C1 |
Product Overview
(2R)-3-methyl-2-phenylbutanenitrile (CAS 161967-83-5), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: (2R)-3-methyl-2-phenylbutanenitrile.
Chemical Property Profile of (2R)-3-methyl-2-phenylbutanenitrile
Property Insights of (2R)-3-methyl-2-phenylbutanenitrile
The XLogP value of 2.94978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-3-methyl-2-phenylbutanenitrile. With a topological polar surface area (TPSA) of 23.79 Ų, (2R)-3-methyl-2-phenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R)-3-methyl-2-phenylbutanenitrile 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 (2R)-3-methyl-2-phenylbutanenitrile?
The CAS number of (2R)-3-methyl-2-phenylbutanenitrile is 161967-83-5.
What is the molecular formula of (2R)-3-methyl-2-phenylbutanenitrile?
The molecular formula of (2R)-3-methyl-2-phenylbutanenitrile is C11H13N.
What is the molecular weight of (2R)-3-methyl-2-phenylbutanenitrile?
The molecular weight of (2R)-3-methyl-2-phenylbutanenitrile is 159.10 g/mol.
Where can I buy (2R)-3-methyl-2-phenylbutanenitrile?
You can request a quote for (2R)-3-methyl-2-phenylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R)-3-methyl-2-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2R)-3-methyl-2-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.