1-(2-Propynyloxy)acetone
TL;DR: 1-(2-Propynyloxy)acetone (CAS 202131-98-4) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-ynoxypropan-2-one
Also Known As: 1-(2-propynyloxy)acetone, 1-prop-2-ynoxypropan-2-one, 2-PROPANONE, 1-(2-PROPYNYLOXY)-, 2-Propanone, 1-(2-propynyloxy)- (9CI)
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.2252 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 110.187164 |
Chemical Identifiers
| CAS Number | 202131-98-4 |
|---|---|
| SMILES | CC(=O)COCC#C |
Product Overview
1-(2-Propynyloxy)acetone (CAS 202131-98-4), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: 1-prop-2-ynoxypropan-2-one.
Chemical Property Profile of 1-(2-Propynyloxy)acetone
Property Insights of 1-(2-Propynyloxy)acetone
The XLogP value of 0.2252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Propynyloxy)acetone. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(2-Propynyloxy)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Propynyloxy)acetone 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 1-(2-Propynyloxy)acetone?
The CAS number of 1-(2-Propynyloxy)acetone is 202131-98-4.
What is the molecular formula of 1-(2-Propynyloxy)acetone?
The molecular formula of 1-(2-Propynyloxy)acetone is C6H8O2.
What is the molecular weight of 1-(2-Propynyloxy)acetone?
The molecular weight of 1-(2-Propynyloxy)acetone is 112.05 g/mol.
Where can I buy 1-(2-Propynyloxy)acetone?
You can request a quote for 1-(2-Propynyloxy)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Propynyloxy)acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Propynyloxy)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.