4-Methoxy-but-3-en-1-yne
TL;DR: 4-Methoxy-but-3-en-1-yne (CAS 2798-73-4) is a chemical compound with molecular formula C5H6O and molecular weight 82.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxybut-1-en-3-yne
Also Known As: 1-Methoxybutene-1-yne-3, 1-methoxybut-1-en-3-yne, 1-Buten-3-yne, 1-methoxy-, 1-Methoxy-1-buten-3-yne, 4-methoxy-3-butene-1-yne
| Molecular Formula | C5H6O |
|---|---|
| Molecular Weight | 82.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 82.04186 |
| Heavy Atoms | 6 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 2798-73-4 |
|---|---|
| SMILES | COC=CC#C |
| InChIKey | VTWTUVLDYHBQTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxy-but-3-en-1-yne (CAS 2798-73-4), with molecular formula C5H6O and molecular weight 82.04 g/mol. IUPAC: 1-methoxybut-1-en-3-yne.
Chemical Property Profile of 4-Methoxy-but-3-en-1-yne
Property Insights of 4-Methoxy-but-3-en-1-yne
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxy-but-3-en-1-yne. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Methoxy-but-3-en-1-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-but-3-en-1-yne 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 4-Methoxy-but-3-en-1-yne?
The CAS number of 4-Methoxy-but-3-en-1-yne is 2798-73-4.
What is the molecular formula of 4-Methoxy-but-3-en-1-yne?
The molecular formula of 4-Methoxy-but-3-en-1-yne is C5H6O.
What is the molecular weight of 4-Methoxy-but-3-en-1-yne?
The molecular weight of 4-Methoxy-but-3-en-1-yne is 82.04 g/mol.
Where can I buy 4-Methoxy-but-3-en-1-yne?
You can request a quote for 4-Methoxy-but-3-en-1-yne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-but-3-en-1-yne?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-but-3-en-1-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.