Allyl Formate
TL;DR: Allyl Formate (CAS 1838-59-1) is a chemical compound with molecular formula C4H6O2 and molecular weight 86.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl formate
Also Known As: ALLYL FORMATE, Formic acid, allyl ester, prop-2-enyl formate, Formic acid, 2-propenyl ester, Allylformiat
| Molecular Formula | C4H6O2 |
|---|---|
| Molecular Weight | 86.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 86.03678 |
| Heavy Atoms | 6 |
| Complexity | 49.0 |
| Boiling Point | 83 °C @760 [mm Hg] |
| Density | 0.948 @ 18°C |
Chemical Identifiers
| CAS Number | 1838-59-1 |
|---|---|
| SMILES | C=CCOC=O |
| InChIKey | ZHHZHHSFKCANOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl Formate (CAS 1838-59-1), with molecular formula C4H6O2 and molecular weight 86.04 g/mol. IUPAC: prop-2-enyl formate.
Chemical Property Profile of Allyl Formate
Property Insights of Allyl Formate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl Formate. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl Formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl Formate 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 Allyl Formate?
The CAS number of Allyl Formate is 1838-59-1.
What is the molecular formula of Allyl Formate?
The molecular formula of Allyl Formate is C4H6O2.
What is the molecular weight of Allyl Formate?
The molecular weight of Allyl Formate is 86.04 g/mol.
Where can I buy Allyl Formate?
You can request a quote for Allyl Formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl Formate?
Yes, KEHONG BIO provides custom synthesis services for Allyl Formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.