1,3-Dioxan-5-yl(phenyl)methanone
TL;DR: 1,3-Dioxan-5-yl(phenyl)methanone (CAS 100257-34-9) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxan-5-yl(phenyl)methanone
Also Known As: 5-Benzoyl-1,3-dioxane, 1,3-dioxan-5-yl(phenyl)methanone, 1,3-dioxan-5-yl-phenyl-methanone, formaldehyde-2-benzoyltrimethylene acetal, J2.512.854K
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.4898 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 301.5685 |
Chemical Identifiers
| CAS Number | 100257-34-9 |
|---|---|
| SMILES | C1C(COCO1)C(=O)C2=CC=CC=C2 |
Product Overview
1,3-Dioxan-5-yl(phenyl)methanone (CAS 100257-34-9), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 1,3-dioxan-5-yl(phenyl)methanone.
Chemical Property Profile of 1,3-Dioxan-5-yl(phenyl)methanone
Property Insights of 1,3-Dioxan-5-yl(phenyl)methanone
The XLogP value of 1.4898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxan-5-yl(phenyl)methanone. With a topological polar surface area (TPSA) of 35.53 Ų, 1,3-Dioxan-5-yl(phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxan-5-yl(phenyl)methanone 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-yl(phenyl)methanone?
The CAS number of 1,3-Dioxan-5-yl(phenyl)methanone is 100257-34-9.
What is the molecular formula of 1,3-Dioxan-5-yl(phenyl)methanone?
The molecular formula of 1,3-Dioxan-5-yl(phenyl)methanone is C11H12O3.
What is the molecular weight of 1,3-Dioxan-5-yl(phenyl)methanone?
The molecular weight of 1,3-Dioxan-5-yl(phenyl)methanone is 192.08 g/mol.
Where can I buy 1,3-Dioxan-5-yl(phenyl)methanone?
You can request a quote for 1,3-Dioxan-5-yl(phenyl)methanone 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-yl(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxan-5-yl(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.