2-Propyl-1-hexanol
TL;DR: 2-Propyl-1-hexanol (CAS 817-46-9) is a chemical compound with molecular formula C9H20O and molecular weight 144.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylhexan-1-ol
Also Known As: 2-Propylhexan-1-ol, 2-Propyl-1-hexanol, 1-Hexanol, 2-propyl-, 2-n-Propylhexanol-1, 2-Propylhexane-1-ol
| Molecular Formula | C9H20O |
|---|---|
| Molecular Weight | 144.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 144.15141 |
| Heavy Atoms | 10 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 817-46-9 |
|---|---|
| SMILES | CCCCC(CCC)CO |
| InChIKey | JSUXZEJWGVYJJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propyl-1-hexanol (CAS 817-46-9), with molecular formula C9H20O and molecular weight 144.15 g/mol. IUPAC: 2-propylhexan-1-ol.
Chemical Property Profile of 2-Propyl-1-hexanol
Property Insights of 2-Propyl-1-hexanol
The XLogP value of 3.2 indicates that 2-Propyl-1-hexanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Propyl-1-hexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propyl-1-hexanol has 1 hydrogen bond donor(s) and 1 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-Propyl-1-hexanol?
The CAS number of 2-Propyl-1-hexanol is 817-46-9.
What is the molecular formula of 2-Propyl-1-hexanol?
The molecular formula of 2-Propyl-1-hexanol is C9H20O.
What is the molecular weight of 2-Propyl-1-hexanol?
The molecular weight of 2-Propyl-1-hexanol is 144.15 g/mol.
Where can I buy 2-Propyl-1-hexanol?
You can request a quote for 2-Propyl-1-hexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propyl-1-hexanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Propyl-1-hexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.