3,3-Diacetoxypropene
TL;DR: 3,3-Diacetoxypropene (CAS 869-29-4) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyloxyprop-2-enyl acetate
Also Known As: Allylidene diacetate, Diacetoxypropene, Allylidene acetate, Acrolein diacetate, 3,3-Diacetoxypropene
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 869-29-4 |
|---|---|
| SMILES | CC(=O)OC(C=C)OC(=O)C |
| InChIKey | TXECTBGVEUDNSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3-Diacetoxypropene (CAS 869-29-4), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: 1-acetyloxyprop-2-enyl acetate.
Chemical Property Profile of 3,3-Diacetoxypropene
Property Insights of 3,3-Diacetoxypropene
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Diacetoxypropene. With a topological polar surface area (TPSA) of 52.6 Ų, 3,3-Diacetoxypropene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Diacetoxypropene has 0 hydrogen bond donor(s) and 4 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 3,3-Diacetoxypropene?
The CAS number of 3,3-Diacetoxypropene is 869-29-4.
What is the molecular formula of 3,3-Diacetoxypropene?
The molecular formula of 3,3-Diacetoxypropene is C7H10O4.
What is the molecular weight of 3,3-Diacetoxypropene?
The molecular weight of 3,3-Diacetoxypropene is 158.06 g/mol.
Where can I buy 3,3-Diacetoxypropene?
You can request a quote for 3,3-Diacetoxypropene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Diacetoxypropene?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Diacetoxypropene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.