3,4-Dimethylheptane
TL;DR: 3,4-Dimethylheptane (CAS 922-28-1) 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.
3,4-dimethylheptane
Also Known As: 3,4-DIMETHYLHEPTANE, Heptane, 3,4-dimethyl-, 3,4-dimethyl-heptane, Heptane,4-dimethyl-, 3,4-Dimethyl heptane
| Molecular Formula | C9H20 |
|---|---|
| Molecular Weight | 128.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.1565 |
| Heavy Atoms | 9 |
| Complexity | 57.0 |
| Boiling Point | 140.60 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 922-28-1 |
|---|---|
| SMILES | CCCC(C)C(C)CC |
| InChIKey | MAKRYGRRIKSDES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dimethylheptane (CAS 922-28-1), with molecular formula C9H20 and molecular weight 128.16 g/mol. IUPAC: 3,4-dimethylheptane.
Chemical Property Profile of 3,4-Dimethylheptane
Property Insights of 3,4-Dimethylheptane
The XLogP value of 4.5 indicates that 3,4-Dimethylheptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Dimethylheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylheptane 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 3,4-Dimethylheptane?
The CAS number of 3,4-Dimethylheptane is 922-28-1.
What is the molecular formula of 3,4-Dimethylheptane?
The molecular formula of 3,4-Dimethylheptane is C9H20.
What is the molecular weight of 3,4-Dimethylheptane?
The molecular weight of 3,4-Dimethylheptane is 128.16 g/mol.
Where can I buy 3,4-Dimethylheptane?
You can request a quote for 3,4-Dimethylheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylheptane?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.