1,3-Dioxane, 4-methyl-2-propyl-
TL;DR: 1,3-Dioxane, 4-methyl-2-propyl- (CAS 1745-87-5) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-propyl-1,3-dioxane
Also Known As: 4-Methyl-2-propyl-1,3-dioxane, 1,3-Dioxane, 4-methyl-2-propyl-, m-Dioxane, 4-methyl-2-propyl-, 2-Propyl-4-methyl-1,3-dioxane, 1, 4-methyl-2-propyl-
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 1745-87-5 |
|---|---|
| SMILES | CCCC1OCCC(O1)C |
| InChIKey | AHJYOYDRGYJRDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxane, 4-methyl-2-propyl- (CAS 1745-87-5), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 4-methyl-2-propyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 4-methyl-2-propyl-
Property Insights of 1,3-Dioxane, 4-methyl-2-propyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane, 4-methyl-2-propyl-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 4-methyl-2-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 4-methyl-2-propyl- 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-propyl-?
The CAS number of 1,3-Dioxane, 4-methyl-2-propyl- is 1745-87-5.
What is the molecular formula of 1,3-Dioxane, 4-methyl-2-propyl-?
The molecular formula of 1,3-Dioxane, 4-methyl-2-propyl- is C8H16O2.
What is the molecular weight of 1,3-Dioxane, 4-methyl-2-propyl-?
The molecular weight of 1,3-Dioxane, 4-methyl-2-propyl- is 144.12 g/mol.
Where can I buy 1,3-Dioxane, 4-methyl-2-propyl-?
You can request a quote for 1,3-Dioxane, 4-methyl-2-propyl- 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-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 4-methyl-2-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.