2,2,4-Trimethyl-1,6-hexanediol
TL;DR: 2,2,4-Trimethyl-1,6-hexanediol (CAS 3089-24-5) 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.
2,2,4-trimethylhexane-1,6-diol
Also Known As: 2,2,4-Trimethylhexane-1,6-diol, 1,6-Hexanediol, 2,2,4-trimethyl-, 2,2,4-trimethyl-1,6-hexanediol, 221-429-1, EINECS 221-429-1
| Molecular Formula | C9H20O2 |
|---|---|
| Molecular Weight | 160.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.14633 |
| Heavy Atoms | 11 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 3089-24-5 |
|---|---|
| SMILES | CC(CCO)CC(C)(C)CO |
| InChIKey | GZZLQUBMUXEOBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4-Trimethyl-1,6-hexanediol (CAS 3089-24-5), with molecular formula C9H20O2 and molecular weight 160.15 g/mol. IUPAC: 2,2,4-trimethylhexane-1,6-diol.
Chemical Property Profile of 2,2,4-Trimethyl-1,6-hexanediol
Property Insights of 2,2,4-Trimethyl-1,6-hexanediol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,4-Trimethyl-1,6-hexanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2,2,4-Trimethyl-1,6-hexanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethyl-1,6-hexanediol 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 2,2,4-Trimethyl-1,6-hexanediol?
The CAS number of 2,2,4-Trimethyl-1,6-hexanediol is 3089-24-5.
What is the molecular formula of 2,2,4-Trimethyl-1,6-hexanediol?
The molecular formula of 2,2,4-Trimethyl-1,6-hexanediol is C9H20O2.
What is the molecular weight of 2,2,4-Trimethyl-1,6-hexanediol?
The molecular weight of 2,2,4-Trimethyl-1,6-hexanediol is 160.15 g/mol.
Where can I buy 2,2,4-Trimethyl-1,6-hexanediol?
You can request a quote for 2,2,4-Trimethyl-1,6-hexanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethyl-1,6-hexanediol?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethyl-1,6-hexanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.