2,3-Dimethylheptane
TL;DR: 2,3-Dimethylheptane (CAS 3074-71-3) 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.
2,3-dimethylheptane
Also Known As: 2,3-Dimethylheptane, Heptane, 2,3-dimethyl-, 2,3-dimethyl-heptane, 2,3-Dimethyl heptane, 2,3-DIMETHYLHEXANE
| 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 | 55.0 |
Chemical Identifiers
| CAS Number | 3074-71-3 |
|---|---|
| SMILES | CCCCC(C)C(C)C |
| InChIKey | WBRFDUJXCLCKPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dimethylheptane (CAS 3074-71-3), with molecular formula C9H20 and molecular weight 128.16 g/mol. IUPAC: 2,3-dimethylheptane.
Chemical Property Profile of 2,3-Dimethylheptane
Property Insights of 2,3-Dimethylheptane
The XLogP value of 4.5 indicates that 2,3-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, 2,3-Dimethylheptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-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 2,3-Dimethylheptane?
The CAS number of 2,3-Dimethylheptane is 3074-71-3.
What is the molecular formula of 2,3-Dimethylheptane?
The molecular formula of 2,3-Dimethylheptane is C9H20.
What is the molecular weight of 2,3-Dimethylheptane?
The molecular weight of 2,3-Dimethylheptane is 128.16 g/mol.
Where can I buy 2,3-Dimethylheptane?
You can request a quote for 2,3-Dimethylheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylheptane?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.