2,8,8-Trimethylnonane-2,7-diol
TL;DR: 2,8,8-Trimethylnonane-2,7-diol (CAS 57512-45-5) is a chemical compound with molecular formula C12H26O2 and molecular weight 202.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8,8-trimethylnonane-2,7-diol
Also Known As: 2,8,8-Trimethylnonane-2,7-diol, 2,7-Nonanediol,2,8,8-trimethyl, 2,8,8-Trimethyl-2,7-nonanediol, 2,7-Nonanediol,2,8,8-trimethyl-, 2,7-Nonanediol, 2,8,8-trimethyl-
| Molecular Formula | C12H26O2 |
|---|---|
| Molecular Weight | 202.19 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.19328 |
| Heavy Atoms | 14 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 57512-45-5 |
|---|---|
| SMILES | CC(C)(C)C(CCCCC(C)(C)O)O |
| InChIKey | AMNHLQWCSMTIRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,8,8-Trimethylnonane-2,7-diol (CAS 57512-45-5), with molecular formula C12H26O2 and molecular weight 202.19 g/mol. IUPAC: 2,8,8-trimethylnonane-2,7-diol.
Chemical Property Profile of 2,8,8-Trimethylnonane-2,7-diol
Property Insights of 2,8,8-Trimethylnonane-2,7-diol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,8,8-Trimethylnonane-2,7-diol. With a topological polar surface area (TPSA) of 40.5 Ų, 2,8,8-Trimethylnonane-2,7-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8,8-Trimethylnonane-2,7-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 2,8,8-Trimethylnonane-2,7-diol?
The CAS number of 2,8,8-Trimethylnonane-2,7-diol is 57512-45-5.
What is the molecular formula of 2,8,8-Trimethylnonane-2,7-diol?
The molecular formula of 2,8,8-Trimethylnonane-2,7-diol is C12H26O2.
What is the molecular weight of 2,8,8-Trimethylnonane-2,7-diol?
The molecular weight of 2,8,8-Trimethylnonane-2,7-diol is 202.19 g/mol.
Where can I buy 2,8,8-Trimethylnonane-2,7-diol?
You can request a quote for 2,8,8-Trimethylnonane-2,7-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8,8-Trimethylnonane-2,7-diol?
Yes, KEHONG BIO provides custom synthesis services for 2,8,8-Trimethylnonane-2,7-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.