3-Ethyl-2-heptanol
TL;DR: 3-Ethyl-2-heptanol (CAS 19780-39-3) 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.
3-ethylheptan-2-ol
Also Known As: 3-ethylheptan-2-ol, 3-Ethyl-2-heptanol, 2-Heptanol, 3-ethyl-, 3-Heptyl methyl carbinol, 3-Ethyl-2-heptanol, erythro + threo
| Molecular Formula | C9H20O |
|---|---|
| Molecular Weight | 144.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.15141 |
| Heavy Atoms | 10 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 19780-39-3 |
|---|---|
| SMILES | CCCCC(CC)C(C)O |
| InChIKey | MMQDVLWWGWJSFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-2-heptanol (CAS 19780-39-3), with molecular formula C9H20O and molecular weight 144.15 g/mol. IUPAC: 3-ethylheptan-2-ol.
Chemical Property Profile of 3-Ethyl-2-heptanol
Property Insights of 3-Ethyl-2-heptanol
The XLogP value of 3.1 indicates that 3-Ethyl-2-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, 3-Ethyl-2-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-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 3-Ethyl-2-heptanol?
The CAS number of 3-Ethyl-2-heptanol is 19780-39-3.
What is the molecular formula of 3-Ethyl-2-heptanol?
The molecular formula of 3-Ethyl-2-heptanol is C9H20O.
What is the molecular weight of 3-Ethyl-2-heptanol?
The molecular weight of 3-Ethyl-2-heptanol is 144.15 g/mol.
Where can I buy 3-Ethyl-2-heptanol?
You can request a quote for 3-Ethyl-2-heptanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-heptanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.