4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile
TL;DR: 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile (CAS 5219-01-2) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-3-oxopentanenitrile
Also Known As: 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile, Propionyl-p-methoxybenzylcyanid, 2-(4-methoxyphenyl)-3-oxopentanenitrile, 2-(4-methoxyphenyl)-3-oxo-pentanenitrile, 2-(4-METHOXY-PHENYL)-3-OXO-PENTANENITRILE
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 2.28148 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 375.60376 |
Chemical Identifiers
| CAS Number | 5219-01-2 |
|---|---|
| SMILES | CCC(=O)C(C#N)C1=CC=C(C=C1)OC |
Product Overview
4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile (CAS 5219-01-2), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 2-(4-methoxyphenyl)-3-oxopentanenitrile.
Chemical Property Profile of 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile
Property Insights of 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile
The XLogP value of 2.28148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile. With a topological polar surface area (TPSA) of 50.09 Ų, 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile has 0 hydrogen bond donor(s) and 3 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-Methoxy-a-(1-oxopropyl)benzeneacetonitrile?
The CAS number of 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile is 5219-01-2.
What is the molecular formula of 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile?
The molecular formula of 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile is C12H13NO2.
What is the molecular weight of 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile?
The molecular weight of 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile is 203.09 g/mol.
Where can I buy 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile?
You can request a quote for 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-a-(1-oxopropyl)benzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.