4-Oxo-3-phenylpentanenitrile
TL;DR: 4-Oxo-3-phenylpentanenitrile (CAS 21953-95-7) 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.
4-oxo-3-phenylpentanenitrile
Also Known As: 4-oxo-3-phenylpentanenitrile, 3-Phenyl-4-oxopentanenitrile, 4-keto-3-phenyl-valeronitrile, Benzenepropanenitrile, b-acetyl-, 3-phenyl-4-oxopentane-1-nitrile
| 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 | 21953-95-7 |
|---|---|
| SMILES | CC(=O)C(CC#N)C1=CC=CC=C1 |
Product Overview
4-Oxo-3-phenylpentanenitrile (CAS 21953-95-7), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 4-oxo-3-phenylpentanenitrile.
Chemical Property Profile of 4-Oxo-3-phenylpentanenitrile
Property Insights of 4-Oxo-3-phenylpentanenitrile
The XLogP value of 2.27288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-3-phenylpentanenitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 4-Oxo-3-phenylpentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-3-phenylpentanenitrile 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 4-Oxo-3-phenylpentanenitrile?
The CAS number of 4-Oxo-3-phenylpentanenitrile is 21953-95-7.
What is the molecular formula of 4-Oxo-3-phenylpentanenitrile?
The molecular formula of 4-Oxo-3-phenylpentanenitrile is C11H11NO.
What is the molecular weight of 4-Oxo-3-phenylpentanenitrile?
The molecular weight of 4-Oxo-3-phenylpentanenitrile is 173.08 g/mol.
Where can I buy 4-Oxo-3-phenylpentanenitrile?
You can request a quote for 4-Oxo-3-phenylpentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-3-phenylpentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-3-phenylpentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.