Paraldol
TL;DR: Paraldol (CAS 7653-39-6) is a chemical compound with molecular formula C8H16O4 and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxypropyl)-6-methyl-1,3-dioxan-4-ol
Also Known As: paraldol, 2-(2-hydroxypropyl)-6-methyl-1,3-dioxan-4-ol, 2-(2-hydroxypropyl)-4-hydroxy-6-methyl-1,3-dioxane, 1,3-Dioxane-2-ethanol, 4-hydroxy-alpha,6-dimethyl-, 1,3-Dioxane-2-ethanol, 4-hydroxy-.alpha.,6-dimethyl-
| Molecular Formula | C8H16O4 |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.10486 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 7653-39-6 |
|---|---|
| SMILES | CC1CC(OC(O1)CC(C)O)O |
| InChIKey | XWHFEIYSZLQWLG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Paraldol (CAS 7653-39-6), with molecular formula C8H16O4 and molecular weight 176.10 g/mol. IUPAC: 2-(2-hydroxypropyl)-6-methyl-1,3-dioxan-4-ol.
Chemical Property Profile of Paraldol
Property Insights of Paraldol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Paraldol. With a topological polar surface area (TPSA) of 58.9 Ų, Paraldol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Paraldol has 2 hydrogen bond donor(s) and 4 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 Paraldol?
The CAS number of Paraldol is 7653-39-6.
What is the molecular formula of Paraldol?
The molecular formula of Paraldol is C8H16O4.
What is the molecular weight of Paraldol?
The molecular weight of Paraldol is 176.10 g/mol.
Where can I buy Paraldol?
You can request a quote for Paraldol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paraldol?
Yes, KEHONG BIO provides custom synthesis services for Paraldol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.