Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)-
TL;DR: Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)- (CAS 180475-45-0) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-4-oxo-2-phenylpentanenitrile
Also Known As: (2R)-4-oxo-2-phenylpentanenitrile, (R)-2-Phenyl-4-oxopentanenitrile, (R)-4-oxo-2-phenylpentanenitrile, Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)-, Benzeneacetonitrile, I+/--(2-oxopropyl)-, (R)-
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 2.27288 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 323.69354 |
Chemical Identifiers
| CAS Number | 180475-45-0 |
|---|---|
| SMILES | CC(=O)C[C@@H](C#N)C1=CC=CC=C1 |
Product Overview
Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)- (CAS 180475-45-0), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: (2R)-4-oxo-2-phenylpentanenitrile.
Chemical Property Profile of Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)-
Property Insights of Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)-
The XLogP value of 2.27288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)-. With a topological polar surface area (TPSA) of 40.86 Ų, Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)- has 0 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 Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)-?
The CAS number of Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)- is 180475-45-0.
What is the molecular formula of Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)-?
The molecular formula of Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)- is C11H11NO.
What is the molecular weight of Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)-?
The molecular weight of Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)- is 173.08 g/mol.
Where can I buy Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)-?
You can request a quote for Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetonitrile, alpha-(2-oxopropyl)-, (R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.