1,3-Diethoxyacetone
TL;DR: 1,3-Diethoxyacetone (CAS 6319-46-6) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethoxypropan-2-one
Also Known As: 1,3-diethoxyacetone, 1,3-diethoxypropan-2-one, 1,3-diethoxy-propan-2-one, 1,3-Diethoxy-2-propanone, 2-Propanone,1,3-diethoxy-
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 6319-46-6 |
|---|---|
| SMILES | CCOCC(=O)COCC |
| InChIKey | PAUDOGNWEHPPBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diethoxyacetone (CAS 6319-46-6), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: 1,3-diethoxypropan-2-one.
Chemical Property Profile of 1,3-Diethoxyacetone
Property Insights of 1,3-Diethoxyacetone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethoxyacetone. With a topological polar surface area (TPSA) of 35.5 Ų, 1,3-Diethoxyacetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethoxyacetone has 0 hydrogen bond donor(s) and 3 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-Diethoxyacetone?
The CAS number of 1,3-Diethoxyacetone is 6319-46-6.
What is the molecular formula of 1,3-Diethoxyacetone?
The molecular formula of 1,3-Diethoxyacetone is C7H14O3.
What is the molecular weight of 1,3-Diethoxyacetone?
The molecular weight of 1,3-Diethoxyacetone is 146.09 g/mol.
Where can I buy 1,3-Diethoxyacetone?
You can request a quote for 1,3-Diethoxyacetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethoxyacetone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethoxyacetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.