2-Pentyl-1,3-dioxan-5-ol
TL;DR: 2-Pentyl-1,3-dioxan-5-ol (CAS 75825-66-0) 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-pentyl-1,3-dioxan-5-ol
Also Known As: 2-pentyl-1,3-dioxan-5-ol, 1,3-Dioxan-5-ol, 2-pentyl-, cis-, (2s,5s)-2-pentyl-1,3-dioxan-5-ol, 1,3-Dioxan-5-ol, 2-pentyl-, trans-, (2R,5R)-2-PENTYL-1,3-DIOXAN-5-OL
| Molecular Formula | C9H18O3 |
|---|---|
| Molecular Weight | 174.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.1256 |
| Heavy Atoms | 12 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 75825-66-0 |
|---|---|
| SMILES | CCCCCC1OCC(CO1)O |
| InChIKey | OLJQMAFQGLNJKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentyl-1,3-dioxan-5-ol (CAS 75825-66-0), with molecular formula C9H18O3 and molecular weight 174.13 g/mol. IUPAC: 2-pentyl-1,3-dioxan-5-ol.
Chemical Property Profile of 2-Pentyl-1,3-dioxan-5-ol
Property Insights of 2-Pentyl-1,3-dioxan-5-ol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentyl-1,3-dioxan-5-ol. With a topological polar surface area (TPSA) of 38.7 Ų, 2-Pentyl-1,3-dioxan-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentyl-1,3-dioxan-5-ol 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 2-Pentyl-1,3-dioxan-5-ol?
The CAS number of 2-Pentyl-1,3-dioxan-5-ol is 75825-66-0.
What is the molecular formula of 2-Pentyl-1,3-dioxan-5-ol?
The molecular formula of 2-Pentyl-1,3-dioxan-5-ol is C9H18O3.
What is the molecular weight of 2-Pentyl-1,3-dioxan-5-ol?
The molecular weight of 2-Pentyl-1,3-dioxan-5-ol is 174.13 g/mol.
Where can I buy 2-Pentyl-1,3-dioxan-5-ol?
You can request a quote for 2-Pentyl-1,3-dioxan-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentyl-1,3-dioxan-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentyl-1,3-dioxan-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.