3,4-Dimethyl-3,4-hexanediol
TL;DR: 3,4-Dimethyl-3,4-hexanediol (CAS 13907-62-5) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylhexane-3,4-diol
Also Known As: 3,4-dimethylhexane-3,4-diol, 3,4-Dimethyl-3,4-hexanediol, 3,4-Hexanediol, 3,4-dimethyl-, 3, 3,4-dimethyl-, 34-Hexanediol 34-dimethyl-
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 13907-62-5 |
|---|---|
| SMILES | CCC(C)(C(C)(CC)O)O |
| InChIKey | RJOVKNVJGPMWDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethyl-3,4-hexanediol (CAS 13907-62-5), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 3,4-dimethylhexane-3,4-diol.
Chemical Property Profile of 3,4-Dimethyl-3,4-hexanediol
Property Insights of 3,4-Dimethyl-3,4-hexanediol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl-3,4-hexanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 3,4-Dimethyl-3,4-hexanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-3,4-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 3,4-Dimethyl-3,4-hexanediol?
The CAS number of 3,4-Dimethyl-3,4-hexanediol is 13907-62-5.
What is the molecular formula of 3,4-Dimethyl-3,4-hexanediol?
The molecular formula of 3,4-Dimethyl-3,4-hexanediol is C8H18O2.
What is the molecular weight of 3,4-Dimethyl-3,4-hexanediol?
The molecular weight of 3,4-Dimethyl-3,4-hexanediol is 146.13 g/mol.
Where can I buy 3,4-Dimethyl-3,4-hexanediol?
You can request a quote for 3,4-Dimethyl-3,4-hexanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-3,4-hexanediol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-3,4-hexanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.