5-Methyl-1-heptanol
TL;DR: 5-Methyl-1-heptanol (CAS 74057-29-7) 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.
5-methylheptan-1-ol
Also Known As: 5-Methyl-1-heptanol, 5-methylheptan-1-ol, 5-Ethylhexanol, 1-Heptanol, 5-methyl-, (5S)-5-Methylheptan-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 | 74057-29-7 |
|---|---|
| SMILES | CCC(C)CCCCO |
| InChIKey | KFARNLMRENFOHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-1-heptanol (CAS 74057-29-7), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 5-methylheptan-1-ol.
Chemical Property Profile of 5-Methyl-1-heptanol
Property Insights of 5-Methyl-1-heptanol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-1-heptanol. With a topological polar surface area (TPSA) of 20.2 Ų, 5-Methyl-1-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-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 5-Methyl-1-heptanol?
The CAS number of 5-Methyl-1-heptanol is 74057-29-7.
What is the molecular formula of 5-Methyl-1-heptanol?
The molecular formula of 5-Methyl-1-heptanol is C8H18O.
What is the molecular weight of 5-Methyl-1-heptanol?
The molecular weight of 5-Methyl-1-heptanol is 130.14 g/mol.
Where can I buy 5-Methyl-1-heptanol?
You can request a quote for 5-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 5-Methyl-1-heptanol?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.