4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile
TL;DR: 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile (CAS 306979-60-2) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-oxobutan-2-yloxy)benzonitrile
Also Known As: 4-(1-methyl-2-oxopropoxy)benzenecarbonitrile, 4-[(3-oxobutan-2-yl)oxy]benzonitrile, 4-(3-oxobutan-2-yloxy)benzonitrile, 4-((3-Oxobutan-2-yl)oxy)benzonitrile, methyloxopropoxybenzenecarbonitrile
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.91458 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 361.86908 |
Chemical Identifiers
| CAS Number | 306979-60-2 |
|---|---|
| SMILES | CC(C(=O)C)OC1=CC=C(C=C1)C#N |
Product Overview
4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile (CAS 306979-60-2), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 4-(3-oxobutan-2-yloxy)benzonitrile.
Chemical Property Profile of 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile
Property Insights of 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile
The XLogP value of 1.91458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile. With a topological polar surface area (TPSA) of 50.09 Ų, 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile 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-(1-Methyl-2-oxopropoxy)benzenecarbonitrile?
The CAS number of 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile is 306979-60-2.
What is the molecular formula of 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile?
The molecular formula of 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile is C11H11NO2.
What is the molecular weight of 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile?
The molecular weight of 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile is 189.08 g/mol.
Where can I buy 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile?
You can request a quote for 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Methyl-2-oxopropoxy)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.