1,3-Dioxan-5-one
TL;DR: 1,3-Dioxan-5-one (CAS 87683-81-6) is a chemical compound with molecular formula C4H6O3 and molecular weight 102.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxan-5-one
Also Known As: 1,3-dioxan-5-one, RefChem:218813
| Molecular Formula | C4H6O3 |
|---|---|
| Molecular Weight | 102.03 g/mol |
| LogP | -0.4402 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 102.03169 |
| Heavy Atoms | 7 |
| Complexity | 71.00409 |
Chemical Identifiers
| CAS Number | 87683-81-6 |
|---|---|
| SMILES | C1C(=O)COCO1 |
Product Overview
1,3-Dioxan-5-one (CAS 87683-81-6), with molecular formula C4H6O3 and molecular weight 102.03 g/mol. IUPAC: 1,3-dioxan-5-one.
Chemical Property Profile of 1,3-Dioxan-5-one
Property Insights of 1,3-Dioxan-5-one
The XLogP value of -0.4402 indicates that 1,3-Dioxan-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.53 Ų, 1,3-Dioxan-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxan-5-one 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-Dioxan-5-one?
The CAS number of 1,3-Dioxan-5-one is 87683-81-6.
What is the molecular formula of 1,3-Dioxan-5-one?
The molecular formula of 1,3-Dioxan-5-one is C4H6O3.
What is the molecular weight of 1,3-Dioxan-5-one?
The molecular weight of 1,3-Dioxan-5-one is 102.03 g/mol.
Where can I buy 1,3-Dioxan-5-one?
You can request a quote for 1,3-Dioxan-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxan-5-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxan-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.