trans-Propenyl acetate
TL;DR: trans-Propenyl acetate (CAS 98485-26-8) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-prop-1-enyl] acetate
Also Known As: trans-propenyl acetate, 1-propen-1-yl acetate, (1E)-1-propenyl acetate, [(E)-prop-1-enyl] acetate, Acetic acid 1-propenyl ester
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 84.0 |
Chemical Identifiers
| CAS Number | 98485-26-8 |
|---|---|
| SMILES | C/C=C/OC(=O)C |
| InChIKey | IKUJAIDSWVXUGG-ONEGZZNKSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
trans-Propenyl acetate (CAS 98485-26-8), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: [(E)-prop-1-enyl] acetate.
Chemical Property Profile of trans-Propenyl acetate
Property Insights of trans-Propenyl acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-Propenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, trans-Propenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Propenyl acetate 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 trans-Propenyl acetate?
The CAS number of trans-Propenyl acetate is 98485-26-8.
What is the molecular formula of trans-Propenyl acetate?
The molecular formula of trans-Propenyl acetate is C5H8O2.
What is the molecular weight of trans-Propenyl acetate?
The molecular weight of trans-Propenyl acetate is 100.05 g/mol.
Where can I buy trans-Propenyl acetate?
You can request a quote for trans-Propenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Propenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for trans-Propenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.