2-戊炔
TL;DR: 2-戊炔 (CAS 627-21-4) is a chemical compound with molecular formula C5H8 and molecular weight 68.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-戊炔
pent-2-yne
Also Known As: Pent-2-yne, Ethylmethylacetylene, Valerylene, 1-Ethyl-2-methylacetylene, 2-Pentyne, 98%
| Molecular Formula | C5H8 |
|---|---|
| Molecular Weight | 68.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 68.0626 |
| Heavy Atoms | 5 |
| Complexity | 58.0 |
| Vapor Pressure | 236.0 [mmHg] |
Chemical Identifiers
| CAS Number | 627-21-4 |
|---|---|
| SMILES | CCC#CC |
| InChIKey | NKTDTMONXHODTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-戊炔 (CAS 627-21-4), with molecular formula C5H8 and molecular weight 68.06 g/mol. IUPAC: pent-2-yne.
Chemical Property Profile of 2-戊炔
Property Insights of 2-戊炔
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-戊炔. With a topological polar surface area (TPSA) of 0.0 Ų, 2-戊炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-戊炔 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-戊炔?
The CAS number of 2-戊炔 is 627-21-4.
What is the molecular formula of 2-戊炔?
The molecular formula of 2-戊炔 is C5H8.
What is the molecular weight of 2-戊炔?
The molecular weight of 2-戊炔 is 68.06 g/mol.
Where can I buy 2-戊炔?
You can request a quote for 2-戊炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-戊炔?
Yes, KEHONG BIO provides custom synthesis services for 2-戊炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.