2-丁炔
TL;DR: 2-丁炔 (CAS 503-17-3) is a chemical compound with molecular formula C4H6 and molecular weight 54.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁炔
but-2-yne
Also Known As: 2-BUTYNE, But-2-yne, Crotonylene, Dimethylacetylene, Crotonylenetylene
| Molecular Formula | C4H6 |
|---|---|
| Molecular Weight | 54.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 54.04695 |
| Heavy Atoms | 4 |
| Complexity | 42.0 |
| Flash Point | -20.0 °C (NFPA, 2010) |
| Vapor Pressure | 706.0 [mmHg] |
Chemical Identifiers
| CAS Number | 503-17-3 |
|---|---|
| SMILES | CC#CC |
| InChIKey | XNMQEEKYCVKGBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丁炔 (CAS 503-17-3), with molecular formula C4H6 and molecular weight 54.05 g/mol. IUPAC: but-2-yne.
Chemical Property Profile of 2-丁炔
Property Insights of 2-丁炔
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丁炔. With a topological polar surface area (TPSA) of 0.0 Ų, 2-丁炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁炔 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-丁炔?
The CAS number of 2-丁炔 is 503-17-3.
What is the molecular formula of 2-丁炔?
The molecular formula of 2-丁炔 is C4H6.
What is the molecular weight of 2-丁炔?
The molecular weight of 2-丁炔 is 54.05 g/mol.
Where can I buy 2-丁炔?
You can request a quote for 2-丁炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁炔?
Yes, KEHONG BIO provides custom synthesis services for 2-丁炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.