1-Methoxypropa-1,2-diene
TL;DR: 1-Methoxypropa-1,2-diene (CAS 13169-00-1) is a chemical compound with molecular formula C4H6O and molecular weight 70.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxypropa-1,2-diene
Also Known As: Methoxyallene, 1-Methoxyallene, 1-methoxypropa-1,2-diene, methoxyallen, 1-methoxy-allene
| Molecular Formula | C4H6O |
|---|---|
| Molecular Weight | 70.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 70.04186 |
| Heavy Atoms | 5 |
| Complexity | 50.0 |
Chemical Identifiers
| CAS Number | 13169-00-1 |
|---|---|
| SMILES | COC=C=C |
| InChIKey | RRWJXAJEGRDMQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methoxypropa-1,2-diene (CAS 13169-00-1), with molecular formula C4H6O and molecular weight 70.04 g/mol. IUPAC: 1-methoxypropa-1,2-diene.
Chemical Property Profile of 1-Methoxypropa-1,2-diene
Property Insights of 1-Methoxypropa-1,2-diene
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxypropa-1,2-diene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Methoxypropa-1,2-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxypropa-1,2-diene 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 1-Methoxypropa-1,2-diene?
The CAS number of 1-Methoxypropa-1,2-diene is 13169-00-1.
What is the molecular formula of 1-Methoxypropa-1,2-diene?
The molecular formula of 1-Methoxypropa-1,2-diene is C4H6O.
What is the molecular weight of 1-Methoxypropa-1,2-diene?
The molecular weight of 1-Methoxypropa-1,2-diene is 70.04 g/mol.
Where can I buy 1-Methoxypropa-1,2-diene?
You can request a quote for 1-Methoxypropa-1,2-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxypropa-1,2-diene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxypropa-1,2-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.