2-Ethyl-1-heptanol
TL;DR: 2-Ethyl-1-heptanol (CAS 817-60-7) 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-ethylheptan-1-ol
Also Known As: 2-Ethylheptan-1-ol, 2-ethylheptanol, 1-Heptanol, 2-ethyl-, 2-ethyl-1-heptanol, octane-3-methanol
| 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 | 817-60-7 |
|---|---|
| SMILES | CCCCCC(CC)CO |
| InChIKey | QNJAZNNWHWYOEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-1-heptanol (CAS 817-60-7), with molecular formula C9H20O and molecular weight 144.15 g/mol. IUPAC: 2-ethylheptan-1-ol.
Chemical Property Profile of 2-Ethyl-1-heptanol
Property Insights of 2-Ethyl-1-heptanol
The XLogP value of 3.2 indicates that 2-Ethyl-1-heptanol 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-Ethyl-1-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1-heptanol 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-Ethyl-1-heptanol?
The CAS number of 2-Ethyl-1-heptanol is 817-60-7.
What is the molecular formula of 2-Ethyl-1-heptanol?
The molecular formula of 2-Ethyl-1-heptanol is C9H20O.
What is the molecular weight of 2-Ethyl-1-heptanol?
The molecular weight of 2-Ethyl-1-heptanol is 144.15 g/mol.
Where can I buy 2-Ethyl-1-heptanol?
You can request a quote for 2-Ethyl-1-heptanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1-heptanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.