1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl-
TL;DR: 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl- (CAS 63512-35-6) is a chemical compound with molecular formula C9H18O3 and molecular weight 174.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diethyl-5-methyl-1,3-dioxan-4-ol
Also Known As: 2,6-Diethyl-5-methyl-1,3-dioxan-4-ol, 2,6-diethyl-4-hydroxy-5-methyl-1,3-dioxane, 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl-, 2,6-Diethyl-5-methyl-1,3-dioxan-4-ol #
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 63512-35-6 |
|---|---|
| SMILES | CCC1C(C(OC(O1)CC)O)C |
| InChIKey | FNXOQXFNDTXDPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl- (CAS 63512-35-6), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 2,6-diethyl-5-methyl-1,3-dioxan-4-ol.
Chemical Property Profile of 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl-
Property Insights of 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl-. With a topological polar surface area (TPSA) of 38.7 Ų, 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl- has 1 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-4-ol, 2,6-diethyl-5-methyl-?
The CAS number of 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl- is 63512-35-6.
What is the molecular formula of 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl-?
The molecular formula of 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl- is C9H18O3.
What is the molecular weight of 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl-?
The molecular weight of 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl- is 174.13 g/mol.
Where can I buy 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl-?
You can request a quote for 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl- 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-4-ol, 2,6-diethyl-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxan-4-ol, 2,6-diethyl-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.