5,5-Dimethyl-1,3-dioxane-2-propionaldehyde
TL;DR: 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde (CAS 58697-03-3) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5,5-dimethyl-1,3-dioxan-2-yl)propanal
Also Known As: 3-(5,5-dimethyl-1,3-dioxan-2-yl)propanal, 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde, 5,5-dimethyl-1,3-dioxane-2-propanal, 1,3-Dioxane-2-propanal, 5,5-dimethyl-, 17ALPHA-HYDROXYPROGESTERONE
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 58697-03-3 |
|---|---|
| SMILES | CC1(COC(OC1)CCC=O)C |
| InChIKey | WLUYPGQZOFXAFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-Dimethyl-1,3-dioxane-2-propionaldehyde (CAS 58697-03-3), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: 3-(5,5-dimethyl-1,3-dioxan-2-yl)propanal.
Chemical Property Profile of 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde
Property Insights of 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde. With a topological polar surface area (TPSA) of 35.5 Ų, 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde 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 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde?
The CAS number of 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde is 58697-03-3.
What is the molecular formula of 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde?
The molecular formula of 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde is C9H16O3.
What is the molecular weight of 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde?
The molecular weight of 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde is 172.11 g/mol.
Where can I buy 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde?
You can request a quote for 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-1,3-dioxane-2-propionaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.