4-Methyl-4-heptanol
TL;DR: 4-Methyl-4-heptanol (CAS 598-01-6) is a chemical compound with molecular formula CCCC(C)(CCC)O 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-4-ol
Also Known As: 4-Methyl-4-heptanol, 4-methylheptan-4-ol, 4-Heptanol, 4-methyl-, 4-Hydroxy-4-methylheptane, Methyldipropylcarbinol
| Molecular Formula | CCCC(C)(CCC)O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 63.0 |
Chemical Identifiers
| CAS Number | 598-01-6 |
|---|---|
| SMILES | CCCC(C)(CCC)O |
| InChIKey | IQXKGRKRIRMQCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-4-heptanol (CAS 598-01-6), with molecular formula CCCC(C)(CCC)O and molecular weight 130.14 g/mol. IUPAC: 4-methylheptan-4-ol.
Chemical Property Profile of 4-Methyl-4-heptanol
Property Insights of 4-Methyl-4-heptanol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-4-heptanol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Methyl-4-heptanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-4-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-4-heptanol?
The CAS number of 4-Methyl-4-heptanol is 598-01-6.
What is the molecular formula of 4-Methyl-4-heptanol?
The molecular formula of 4-Methyl-4-heptanol is CCCC(C)(CCC)O.
What is the molecular weight of 4-Methyl-4-heptanol?
The molecular weight of 4-Methyl-4-heptanol is 130.14 g/mol.
Where can I buy 4-Methyl-4-heptanol?
You can request a quote for 4-Methyl-4-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-4-heptanol?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-4-heptanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.