1,3-Dioxane, 4-methyl-2-(phenylmethyl)-
TL;DR: 1,3-Dioxane, 4-methyl-2-(phenylmethyl)- (CAS 5468-07-5) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-methyl-1,3-dioxane
Also Known As: 2-Benzyl-4-methyl-1,3-dioxane, 1,3-Dioxane, 4-methyl-2-(phenylmethyl)-, 4-Methyl-2-(phenylmethyl)-1,3-dioxane, EINECS 226-784-6, RefChem:72779
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 5468-07-5 |
|---|---|
| SMILES | CC1CCOC(O1)CC2=CC=CC=C2 |
| InChIKey | BKOLAFYRIGGULV-UHFFFAOYSA-N |
Product Overview
1,3-Dioxane, 4-methyl-2-(phenylmethyl)- (CAS 5468-07-5), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-benzyl-4-methyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 4-methyl-2-(phenylmethyl)-
Property Insights of 1,3-Dioxane, 4-methyl-2-(phenylmethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane, 4-methyl-2-(phenylmethyl)-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 4-methyl-2-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 4-methyl-2-(phenylmethyl)- has 0 hydrogen bond donor(s) and 2 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-Dioxane, 4-methyl-2-(phenylmethyl)-?
The CAS number of 1,3-Dioxane, 4-methyl-2-(phenylmethyl)- is 5468-07-5.
What is the molecular formula of 1,3-Dioxane, 4-methyl-2-(phenylmethyl)-?
The molecular formula of 1,3-Dioxane, 4-methyl-2-(phenylmethyl)- is C12H16O2.
What is the molecular weight of 1,3-Dioxane, 4-methyl-2-(phenylmethyl)-?
The molecular weight of 1,3-Dioxane, 4-methyl-2-(phenylmethyl)- is 192.12 g/mol.
Where can I buy 1,3-Dioxane, 4-methyl-2-(phenylmethyl)-?
You can request a quote for 1,3-Dioxane, 4-methyl-2-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane, 4-methyl-2-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 4-methyl-2-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.