1-(Furan-2-yl)propan-2-yl acetate
TL;DR: 1-(Furan-2-yl)propan-2-yl acetate (CAS 102422-76-4) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-yl)propan-2-yl acetate
Also Known As: 2-(2-Acetoxy-1-propyl)furan, 1-(furan-2-yl)propan-2-yl acetate, 2-(2-Furyl)-1-methylethyl acetate, 2-(2-Furyl)-1-methylethyl acetate #, 2-Furanethanol, .alpha.-methyl-, acetate
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 102422-76-4 |
|---|---|
| SMILES | CC(CC1=CC=CO1)OC(=O)C |
| InChIKey | DWLQCAWYQVQNFC-UHFFFAOYSA-N |
Product Overview
1-(Furan-2-yl)propan-2-yl acetate (CAS 102422-76-4), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 1-(furan-2-yl)propan-2-yl acetate.
Chemical Property Profile of 1-(Furan-2-yl)propan-2-yl acetate
Property Insights of 1-(Furan-2-yl)propan-2-yl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Furan-2-yl)propan-2-yl acetate. With a topological polar surface area (TPSA) of 39.4 Ų, 1-(Furan-2-yl)propan-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Furan-2-yl)propan-2-yl acetate has 0 hydrogen bond donor(s) and 3 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-(Furan-2-yl)propan-2-yl acetate?
The CAS number of 1-(Furan-2-yl)propan-2-yl acetate is 102422-76-4.
What is the molecular formula of 1-(Furan-2-yl)propan-2-yl acetate?
The molecular formula of 1-(Furan-2-yl)propan-2-yl acetate is C9H12O3.
What is the molecular weight of 1-(Furan-2-yl)propan-2-yl acetate?
The molecular weight of 1-(Furan-2-yl)propan-2-yl acetate is 168.08 g/mol.
Where can I buy 1-(Furan-2-yl)propan-2-yl acetate?
You can request a quote for 1-(Furan-2-yl)propan-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Furan-2-yl)propan-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Furan-2-yl)propan-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.