1,3-Dioxan-5-ol benzoate
TL;DR: 1,3-Dioxan-5-ol benzoate (CAS 49784-60-3) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxan-5-yl benzoate
Also Known As: 1,3-Dioxan-5-ol benzoate, 1,3-Dioxan-5-yl benzoate, 5-O-benzoyl-1,3-dioxane, 1,3-Dioxan-5-yl benzoate #, KST-1B5308
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 49784-60-3 |
|---|---|
| SMILES | C1C(COCO1)OC(=O)C2=CC=CC=C2 |
| InChIKey | GSAPYSIZQBMGIQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxan-5-ol benzoate (CAS 49784-60-3), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 1,3-dioxan-5-yl benzoate.
Chemical Property Profile of 1,3-Dioxan-5-ol benzoate
Property Insights of 1,3-Dioxan-5-ol benzoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxan-5-ol benzoate. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Dioxan-5-ol benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxan-5-ol benzoate 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-Dioxan-5-ol benzoate?
The CAS number of 1,3-Dioxan-5-ol benzoate is 49784-60-3.
What is the molecular formula of 1,3-Dioxan-5-ol benzoate?
The molecular formula of 1,3-Dioxan-5-ol benzoate is C11H12O4.
What is the molecular weight of 1,3-Dioxan-5-ol benzoate?
The molecular weight of 1,3-Dioxan-5-ol benzoate is 208.07 g/mol.
Where can I buy 1,3-Dioxan-5-ol benzoate?
You can request a quote for 1,3-Dioxan-5-ol benzoate 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-ol benzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxan-5-ol benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.