(5-Methyl-1,3-dioxan-5-yl)-phenylmethanone
TL;DR: (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone (CAS 21769-23-3) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-1,3-dioxan-5-yl)-phenylmethanone
Also Known As: 5-Benzoyl-5-methyl-1,3-dioxane, Methanone, (5-methyl-1,3-dioxan-5-yl)phenyl-, (5-methyl-1,3-dioxan-5-yl)-phenylmethanone, J2.603.089G, (5-methyl-1,3-dioxan-5-yl)-phenyl-methanone
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.8799 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 339.14468 |
Chemical Identifiers
| CAS Number | 21769-23-3 |
|---|---|
| SMILES | CC1(COCOC1)C(=O)C2=CC=CC=C2 |
Product Overview
(5-Methyl-1,3-dioxan-5-yl)-phenylmethanone (CAS 21769-23-3), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: (5-methyl-1,3-dioxan-5-yl)-phenylmethanone.
Chemical Property Profile of (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone
Property Insights of (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone
The XLogP value of 1.8799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone. With a topological polar surface area (TPSA) of 35.53 Ų, (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone 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 (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone?
The CAS number of (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone is 21769-23-3.
What is the molecular formula of (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone?
The molecular formula of (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone is C12H14O3.
What is the molecular weight of (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone?
The molecular weight of (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone is 206.09 g/mol.
Where can I buy (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone?
You can request a quote for (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (5-Methyl-1,3-dioxan-5-yl)-phenylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.