1,3-Diacetoxypropane
TL;DR: 1,3-Diacetoxypropane (CAS 628-66-0) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyloxypropyl acetate
Also Known As: 1,3-Diacetoxypropane, Trimethylene acetate, 3-acetyloxypropyl acetate, propane-1,3-diyl diacetate, 1,3-Propanediol, diacetate
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 628-66-0 |
|---|---|
| SMILES | CC(=O)OCCCOC(=O)C |
| InChIKey | DSVGICPKBRQDDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diacetoxypropane (CAS 628-66-0), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 3-acetyloxypropyl acetate.
Chemical Property Profile of 1,3-Diacetoxypropane
Property Insights of 1,3-Diacetoxypropane
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diacetoxypropane. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Diacetoxypropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diacetoxypropane 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 1,3-Diacetoxypropane?
The CAS number of 1,3-Diacetoxypropane is 628-66-0.
What is the molecular formula of 1,3-Diacetoxypropane?
The molecular formula of 1,3-Diacetoxypropane is C7H12O4.
What is the molecular weight of 1,3-Diacetoxypropane?
The molecular weight of 1,3-Diacetoxypropane is 160.07 g/mol.
Where can I buy 1,3-Diacetoxypropane?
You can request a quote for 1,3-Diacetoxypropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diacetoxypropane?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diacetoxypropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.