2-甲基辛烷
TL;DR: 2-甲基辛烷 (CAS 3221-61-2) 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.
2-甲基辛烷
2-methyloctane
Also Known As: 2-METHYLOCTANE, Isononane, Octane, 2-methyl-, 2-Methyl octane, 2-methyl-octane
| Molecular Formula | C9H20 |
|---|---|
| Molecular Weight | 128.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 128.1565 |
| Heavy Atoms | 9 |
| Complexity | 46.0 |
| Melting Point | -80.1 °C |
| Boiling Point | 143.20 °C. @ 760.00 mm Hg |
| Vapor Pressure | 6.21 [mmHg] |
Chemical Identifiers
| CAS Number | 3221-61-2 |
|---|---|
| SMILES | CCCCCCC(C)C |
| InChIKey | ZUBZATZOEPUUQF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基辛烷 (CAS 3221-61-2), with molecular formula C9H20 and molecular weight 128.16 g/mol. IUPAC: 2-methyloctane.
Chemical Property Profile of 2-甲基辛烷
Property Insights of 2-甲基辛烷
The XLogP value of 4.8 indicates that 2-甲基辛烷 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-甲基辛烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基辛烷 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-甲基辛烷?
The CAS number of 2-甲基辛烷 is 3221-61-2.
What is the molecular formula of 2-甲基辛烷?
The molecular formula of 2-甲基辛烷 is C9H20.
What is the molecular weight of 2-甲基辛烷?
The molecular weight of 2-甲基辛烷 is 128.16 g/mol.
Where can I buy 2-甲基辛烷?
You can request a quote for 2-甲基辛烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基辛烷?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基辛烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.