1-Heptanol, 2,4-diethyl-
TL;DR: 1-Heptanol, 2,4-diethyl- (CAS 80192-55-8) is a chemical compound with molecular formula C11H24O and molecular weight 172.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diethylheptan-1-ol
Also Known As: 2,4-Diethylheptan-1-ol, 2,4-Di-ethylheptanol, 2,4-Diethyl-1-heptanol, 1-Heptanol, 2,4-diethyl-, 2,4-diethyl heptan-1-ol
| Molecular Formula | C11H24O |
|---|---|
| Molecular Weight | 172.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.18271 |
| Heavy Atoms | 12 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 80192-55-8 |
|---|---|
| SMILES | CCCC(CC)CC(CC)CO |
| InChIKey | MPSSVYBWYAOYHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Heptanol, 2,4-diethyl- (CAS 80192-55-8), with molecular formula C11H24O and molecular weight 172.18 g/mol. IUPAC: 2,4-diethylheptan-1-ol.
Chemical Property Profile of 1-Heptanol, 2,4-diethyl-
Property Insights of 1-Heptanol, 2,4-diethyl-
The XLogP value of 4.0 indicates that 1-Heptanol, 2,4-diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Heptanol, 2,4-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Heptanol, 2,4-diethyl- 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 1-Heptanol, 2,4-diethyl-?
The CAS number of 1-Heptanol, 2,4-diethyl- is 80192-55-8.
What is the molecular formula of 1-Heptanol, 2,4-diethyl-?
The molecular formula of 1-Heptanol, 2,4-diethyl- is C11H24O.
What is the molecular weight of 1-Heptanol, 2,4-diethyl-?
The molecular weight of 1-Heptanol, 2,4-diethyl- is 172.18 g/mol.
Where can I buy 1-Heptanol, 2,4-diethyl-?
You can request a quote for 1-Heptanol, 2,4-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Heptanol, 2,4-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1-Heptanol, 2,4-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.