4-Methyl-1-heptanol
TL;DR: 4-Methyl-1-heptanol (CAS 817-91-4) is a chemical compound with molecular formula C8H18O and molecular weight 130.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylheptan-1-ol
Also Known As: 4-Methyl-1-heptanol, 4-methylheptan-1-ol, 1-Heptanol, 4-methyl-, 1-Heptanol,4-methyl-, 4-Methyl-heptan-1-ol
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 817-91-4 |
|---|---|
| SMILES | CCCC(C)CCCO |
| InChIKey | LLUQZGDMUIMPTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-1-heptanol (CAS 817-91-4), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 4-methylheptan-1-ol.
Chemical Property Profile of 4-Methyl-1-heptanol
Property Insights of 4-Methyl-1-heptanol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1-heptanol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Methyl-1-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-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 4-Methyl-1-heptanol?
The CAS number of 4-Methyl-1-heptanol is 817-91-4.
What is the molecular formula of 4-Methyl-1-heptanol?
The molecular formula of 4-Methyl-1-heptanol is C8H18O.
What is the molecular weight of 4-Methyl-1-heptanol?
The molecular weight of 4-Methyl-1-heptanol is 130.14 g/mol.
Where can I buy 4-Methyl-1-heptanol?
You can request a quote for 4-Methyl-1-heptanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-1-heptanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-1-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.