3,3,4-Trimethylhexane
TL;DR: 3,3,4-Trimethylhexane (CAS 16747-31-2) is a chemical compound with molecular formula C9H20 and molecular weight 128.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,4-trimethylhexane
Also Known As: 3,3,4-TRIMETHYLHEXANE, Hexane, 3,3,4-trimethyl-, 4-Heptanamine, 3-ethyl-2-methylpyridine, 3,3,4-trimethyl-hexane
| Molecular Formula | C9H20 |
|---|---|
| Molecular Weight | 128.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.1565 |
| Heavy Atoms | 9 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 16747-31-2 |
|---|---|
| SMILES | CCC(C)C(C)(C)CC |
| InChIKey | ARWOOWBJJKVYOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3,4-Trimethylhexane (CAS 16747-31-2), with molecular formula C9H20 and molecular weight 128.16 g/mol. IUPAC: 3,3,4-trimethylhexane.
Chemical Property Profile of 3,3,4-Trimethylhexane
Property Insights of 3,3,4-Trimethylhexane
The XLogP value of 4.4 indicates that 3,3,4-Trimethylhexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3,4-Trimethylhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,4-Trimethylhexane has 0 hydrogen bond donor(s) and 0 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 3,3,4-Trimethylhexane?
The CAS number of 3,3,4-Trimethylhexane is 16747-31-2.
What is the molecular formula of 3,3,4-Trimethylhexane?
The molecular formula of 3,3,4-Trimethylhexane is C9H20.
What is the molecular weight of 3,3,4-Trimethylhexane?
The molecular weight of 3,3,4-Trimethylhexane is 128.16 g/mol.
Where can I buy 3,3,4-Trimethylhexane?
You can request a quote for 3,3,4-Trimethylhexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,4-Trimethylhexane?
Yes, KEHONG BIO provides custom synthesis services for 3,3,4-Trimethylhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.