Prop-1-ene-1,3-diyl diacetate
TL;DR: Prop-1-ene-1,3-diyl diacetate (CAS 1945-91-1) 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.
3-acetyloxyprop-2-enyl acetate
Also Known As: 1,3-Diacetoxypropene, Propene-1,3-diol diacetate, 1,3-Diacetyloxypropene, prop-1-ene-1,3-diyl diacetate, 3-acetyloxyprop-2-enyl acetate
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.2 |
| 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 | 171.0 |
Chemical Identifiers
| CAS Number | 1945-91-1 |
|---|---|
| SMILES | CC(=O)OCC=COC(=O)C |
| InChIKey | BAKOKAVZDCFZIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prop-1-ene-1,3-diyl diacetate (CAS 1945-91-1), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: 3-acetyloxyprop-2-enyl acetate.
Chemical Property Profile of Prop-1-ene-1,3-diyl diacetate
Property Insights of Prop-1-ene-1,3-diyl diacetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-1-ene-1,3-diyl diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Prop-1-ene-1,3-diyl diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-1-ene-1,3-diyl diacetate 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 Prop-1-ene-1,3-diyl diacetate?
The CAS number of Prop-1-ene-1,3-diyl diacetate is 1945-91-1.
What is the molecular formula of Prop-1-ene-1,3-diyl diacetate?
The molecular formula of Prop-1-ene-1,3-diyl diacetate is C7H10O4.
What is the molecular weight of Prop-1-ene-1,3-diyl diacetate?
The molecular weight of Prop-1-ene-1,3-diyl diacetate is 158.06 g/mol.
Where can I buy Prop-1-ene-1,3-diyl diacetate?
You can request a quote for Prop-1-ene-1,3-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-1-ene-1,3-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for Prop-1-ene-1,3-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.