2-Methyloctane-1,3-diol
TL;DR: 2-Methyloctane-1,3-diol (CAS 6237-99-6) is a chemical compound with molecular formula C9H20O2 and molecular weight 160.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyloctane-1,3-diol
Also Known As: 2-methyloctane-1,3-diol, J2.418.539G, 2-METHYLHEXAHYDRO-PYRAZINO[1,2-C]PYRIMIDIN-6(2H)-ONE
| Molecular Formula | C9H20O2 |
|---|---|
| Molecular Weight | 160.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.14633 |
| Heavy Atoms | 11 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 6237-99-6 |
|---|---|
| SMILES | CCCCCC(C(C)CO)O |
| InChIKey | WOOGQXANFLDMBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyloctane-1,3-diol (CAS 6237-99-6), with molecular formula C9H20O2 and molecular weight 160.15 g/mol. IUPAC: 2-methyloctane-1,3-diol.
Chemical Property Profile of 2-Methyloctane-1,3-diol
Property Insights of 2-Methyloctane-1,3-diol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyloctane-1,3-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Methyloctane-1,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyloctane-1,3-diol has 2 hydrogen bond donor(s) and 2 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-Methyloctane-1,3-diol?
The CAS number of 2-Methyloctane-1,3-diol is 6237-99-6.
What is the molecular formula of 2-Methyloctane-1,3-diol?
The molecular formula of 2-Methyloctane-1,3-diol is C9H20O2.
What is the molecular weight of 2-Methyloctane-1,3-diol?
The molecular weight of 2-Methyloctane-1,3-diol is 160.15 g/mol.
Where can I buy 2-Methyloctane-1,3-diol?
You can request a quote for 2-Methyloctane-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyloctane-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyloctane-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.