2-Butyn-1-one, 4-methoxy-1-phenyl-
TL;DR: 2-Butyn-1-one, 4-methoxy-1-phenyl- (CAS 5349-39-3) is a chemical compound with molecular formula C11H10O2 and molecular weight 174.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-1-phenylbut-2-yn-1-one
Also Known As: 4-methoxy-1-phenylbut-2-yn-1-one, 4-Methoxy-1-phenyl-2-butyn-1-one, 2-Butyn-1-one, 4-methoxy-1-phenyl-, Phenyl(3-methoxy-1-propynyl) ketone, 1-Phenyl-4-methoxy-2-butyne-1-one
| Molecular Formula | C11H10O2 |
|---|---|
| Molecular Weight | 174.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.06808 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 5349-39-3 |
|---|---|
| SMILES | COCC#CC(=O)C1=CC=CC=C1 |
| InChIKey | WPALNQOQEFEBPU-UHFFFAOYSA-N |
Product Overview
2-Butyn-1-one, 4-methoxy-1-phenyl- (CAS 5349-39-3), with molecular formula C11H10O2 and molecular weight 174.07 g/mol. IUPAC: 4-methoxy-1-phenylbut-2-yn-1-one.
Chemical Property Profile of 2-Butyn-1-one, 4-methoxy-1-phenyl-
Property Insights of 2-Butyn-1-one, 4-methoxy-1-phenyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyn-1-one, 4-methoxy-1-phenyl-. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butyn-1-one, 4-methoxy-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyn-1-one, 4-methoxy-1-phenyl- 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 2-Butyn-1-one, 4-methoxy-1-phenyl-?
The CAS number of 2-Butyn-1-one, 4-methoxy-1-phenyl- is 5349-39-3.
What is the molecular formula of 2-Butyn-1-one, 4-methoxy-1-phenyl-?
The molecular formula of 2-Butyn-1-one, 4-methoxy-1-phenyl- is C11H10O2.
What is the molecular weight of 2-Butyn-1-one, 4-methoxy-1-phenyl-?
The molecular weight of 2-Butyn-1-one, 4-methoxy-1-phenyl- is 174.07 g/mol.
Where can I buy 2-Butyn-1-one, 4-methoxy-1-phenyl-?
You can request a quote for 2-Butyn-1-one, 4-methoxy-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyn-1-one, 4-methoxy-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyn-1-one, 4-methoxy-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.