1-Propyne, 1-methoxy-
TL;DR: 1-Propyne, 1-methoxy- (CAS 13169-01-2) 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-methoxyprop-1-yne
Also Known As: 1-methoxyprop-1-yne, 1-methoxypropyne, Prop-1-yne, 1-methoxy-, CH3C.equiv.COCH3, 1-propyne, 1-methoxy-
| Molecular Formula | C4H6O |
|---|---|
| Molecular Weight | 70.04 g/mol |
| LogP | 1.2 |
| 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 | 62.0 |
Chemical Identifiers
| CAS Number | 13169-01-2 |
|---|---|
| SMILES | CC#COC |
| InChIKey | QKBBSZTVZOCUAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Propyne, 1-methoxy- (CAS 13169-01-2), with molecular formula C4H6O and molecular weight 70.04 g/mol. IUPAC: 1-methoxyprop-1-yne.
Chemical Property Profile of 1-Propyne, 1-methoxy-
Property Insights of 1-Propyne, 1-methoxy-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propyne, 1-methoxy-. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Propyne, 1-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Propyne, 1-methoxy- 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-Propyne, 1-methoxy-?
The CAS number of 1-Propyne, 1-methoxy- is 13169-01-2.
What is the molecular formula of 1-Propyne, 1-methoxy-?
The molecular formula of 1-Propyne, 1-methoxy- is C4H6O.
What is the molecular weight of 1-Propyne, 1-methoxy-?
The molecular weight of 1-Propyne, 1-methoxy- is 70.04 g/mol.
Where can I buy 1-Propyne, 1-methoxy-?
You can request a quote for 1-Propyne, 1-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propyne, 1-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1-Propyne, 1-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.