2-甲基庚-3-醇
TL;DR: 2-甲基庚-3-醇 (CAS 18720-62-2) 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.
2-甲基庚-3-醇
2-methylheptan-3-ol
Also Known As: 2-Methyl-3-heptanol, 2-Methylheptan-3-ol, 3-Heptanol, 2-methyl-, 2-Methylheptanol-(3), n-Butyl isopropyl carbinol
| 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 | 4 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 18720-62-2 |
|---|---|
| SMILES | CCCCC(C(C)C)O |
| InChIKey | QGVFLDUEHSIZIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基庚-3-醇 (CAS 18720-62-2), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 2-methylheptan-3-ol.
Chemical Property Profile of 2-甲基庚-3-醇
Property Insights of 2-甲基庚-3-醇
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基庚-3-醇. With a topological polar surface area (TPSA) of 20.2 Ų, 2-甲基庚-3-醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基庚-3-醇 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 2-甲基庚-3-醇?
The CAS number of 2-甲基庚-3-醇 is 18720-62-2.
What is the molecular formula of 2-甲基庚-3-醇?
The molecular formula of 2-甲基庚-3-醇 is C8H18O.
What is the molecular weight of 2-甲基庚-3-醇?
The molecular weight of 2-甲基庚-3-醇 is 130.14 g/mol.
Where can I buy 2-甲基庚-3-醇?
You can request a quote for 2-甲基庚-3-醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基庚-3-醇?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基庚-3-醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.