3-Methoxy-3-phenyl-1-propyne
TL;DR: 3-Methoxy-3-phenyl-1-propyne (CAS 50874-13-0) is a chemical compound with molecular formula C10H10O and molecular weight 146.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxyprop-2-ynylbenzene
Also Known As: 1-methoxyprop-2-ynylbenzene, 3-Methoxy-3-phenyl-1-propyne, (1-Methoxypropargyl)benzene, Benzene, (1-methoxy-2-propynyl)-, Methyl 1-phenyl-2-propynyl ether
| Molecular Formula | C10H10O |
|---|---|
| Molecular Weight | 146.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.07317 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 50874-13-0 |
|---|---|
| SMILES | COC(C#C)C1=CC=CC=C1 |
| InChIKey | BUHKAOPBZBSTSX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-3-phenyl-1-propyne (CAS 50874-13-0), with molecular formula C10H10O and molecular weight 146.07 g/mol. IUPAC: 1-methoxyprop-2-ynylbenzene.
Chemical Property Profile of 3-Methoxy-3-phenyl-1-propyne
Property Insights of 3-Methoxy-3-phenyl-1-propyne
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-3-phenyl-1-propyne. With a topological polar surface area (TPSA) of 9.2 Ų, 3-Methoxy-3-phenyl-1-propyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-3-phenyl-1-propyne has 0 hydrogen bond donor(s) and 1 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 3-Methoxy-3-phenyl-1-propyne?
The CAS number of 3-Methoxy-3-phenyl-1-propyne is 50874-13-0.
What is the molecular formula of 3-Methoxy-3-phenyl-1-propyne?
The molecular formula of 3-Methoxy-3-phenyl-1-propyne is C10H10O.
What is the molecular weight of 3-Methoxy-3-phenyl-1-propyne?
The molecular weight of 3-Methoxy-3-phenyl-1-propyne is 146.07 g/mol.
Where can I buy 3-Methoxy-3-phenyl-1-propyne?
You can request a quote for 3-Methoxy-3-phenyl-1-propyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-3-phenyl-1-propyne?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-3-phenyl-1-propyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.