新戊烷
TL;DR: 新戊烷 (CAS 463-82-1) 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.
新戊烷
2,2-dimethylpropane
Also Known As: 2,2-Dimethylpropane, Tetramethylmethane, tert-Pentane, dimethylpropane, Propane, 2,2-dimethyl-
| Molecular Formula | C5H12 |
|---|---|
| Molecular Weight | 72.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 72.0939 |
| Heavy Atoms | 5 |
| Complexity | 15.0 |
| Melting Point | -16.37 °C |
| Boiling Point | 9.5 °C |
| Density | 0.591 at 20 °C |
| Solubility | In water, 33.2 mg/L at 25 °C |
| Flash Point | less than -7.0 °C |
| Vapor Pressure | 1290.0 [mmHg] |
| Refractive Index | 1.3476 at 6 °C |
Chemical Identifiers
| CAS Number | 463-82-1 |
|---|---|
| SMILES | CC(C)(C)C |
| InChIKey | CRSOQBOWXPBRES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
新戊烷 (CAS 463-82-1), with molecular formula C5H12 and molecular weight 72.09 g/mol. IUPAC: 2,2-dimethylpropane.
Chemical Property Profile of 新戊烷
Property Insights of 新戊烷
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新戊烷. With a topological polar surface area (TPSA) of 0.0 Ų, 新戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新戊烷 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 新戊烷?
The CAS number of 新戊烷 is 463-82-1.
What is the molecular formula of 新戊烷?
The molecular formula of 新戊烷 is C5H12.
What is the molecular weight of 新戊烷?
The molecular weight of 新戊烷 is 72.09 g/mol.
Where can I buy 新戊烷?
You can request a quote for 新戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新戊烷?
Yes, KEHONG BIO provides custom synthesis services for 新戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.