异戊烷
TL;DR: 异戊烷 (CAS 78-78-4) is a chemical compound with molecular formula C5H12 and molecular weight 72.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异戊烷
2-methylbutane
Also Known As: 2-Methylbutane, Isoamylhydride, iso-Pentane, methylbutane, Butane, 2-methyl-
| Molecular Formula | C5H12 |
|---|---|
| Molecular Weight | 72.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 72.0939 |
| Heavy Atoms | 5 |
| Complexity | 14.0 |
| Melting Point | -159.9 °C |
| Boiling Point | 27.8 °C at 760 mmHg |
| Density | 0.62 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Flash Point | -56.7 °C |
| Vapor Pressure | 400 mmHg at 10.5 °C ; 595 mmHg at 21.1 °C |
| Refractive Index | = 1.3537 at 20 °C |
Chemical Identifiers
| CAS Number | 78-78-4 |
|---|---|
| SMILES | CCC(C)C |
| InChIKey | QWTDNUCVQCZILF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异戊烷 (CAS 78-78-4), with molecular formula C5H12 and molecular weight 72.09 g/mol. IUPAC: 2-methylbutane.
Chemical Property Profile of 异戊烷
Property Insights of 异戊烷
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异戊烷. With a topological polar surface area (TPSA) of 0.0 Ų, 异戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异戊烷 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 异戊烷?
The CAS number of 异戊烷 is 78-78-4.
What is the molecular formula of 异戊烷?
The molecular formula of 异戊烷 is C5H12.
What is the molecular weight of 异戊烷?
The molecular weight of 异戊烷 is 72.09 g/mol.
Where can I buy 异戊烷?
You can request a quote for 异戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异戊烷?
Yes, KEHONG BIO provides custom synthesis services for 异戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.