4-(Prop-2-yn-1-yloxy)benzonitrile
TL;DR: 4-(Prop-2-yn-1-yloxy)benzonitrile (CAS 33143-80-5) is a chemical compound with molecular formula C10H7NO and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-prop-2-ynoxybenzonitrile
Also Known As: maltodextrin, 4-prop-2-ynoxybenzonitrile, 4-(prop-2-yn-1-yloxy)benzonitrile, Benzonitrile,4-(2-propyn-1-yloxy)-, 4- BENZONITRILE
| Molecular Formula | C10H7NO |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | 1.57028 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.05276 |
| Heavy Atoms | 12 |
| Complexity | 326.34158 |
Chemical Identifiers
| CAS Number | 33143-80-5 |
|---|---|
| SMILES | C#CCOC1=CC=C(C=C1)C#N |
Product Overview
4-(Prop-2-yn-1-yloxy)benzonitrile (CAS 33143-80-5), with molecular formula C10H7NO and molecular weight 157.05 g/mol. IUPAC: 4-prop-2-ynoxybenzonitrile.
Chemical Property Profile of 4-(Prop-2-yn-1-yloxy)benzonitrile
Property Insights of 4-(Prop-2-yn-1-yloxy)benzonitrile
The XLogP value of 1.57028 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Prop-2-yn-1-yloxy)benzonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 4-(Prop-2-yn-1-yloxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Prop-2-yn-1-yloxy)benzonitrile 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-(Prop-2-yn-1-yloxy)benzonitrile?
The CAS number of 4-(Prop-2-yn-1-yloxy)benzonitrile is 33143-80-5.
What is the molecular formula of 4-(Prop-2-yn-1-yloxy)benzonitrile?
The molecular formula of 4-(Prop-2-yn-1-yloxy)benzonitrile is C10H7NO.
What is the molecular weight of 4-(Prop-2-yn-1-yloxy)benzonitrile?
The molecular weight of 4-(Prop-2-yn-1-yloxy)benzonitrile is 157.05 g/mol.
Where can I buy 4-(Prop-2-yn-1-yloxy)benzonitrile?
You can request a quote for 4-(Prop-2-yn-1-yloxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Prop-2-yn-1-yloxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Prop-2-yn-1-yloxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.