丁二炔
TL;DR: 丁二炔 (CAS 460-12-8) is a chemical compound with molecular formula C4H2 and molecular weight 50.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁二炔
buta-1,3-diyne
Also Known As: 1,3-Butadiyne, Diacetylene, buta-1,3-diyne, Biacetylene, Biethynyl
| Molecular Formula | C4H2 |
|---|---|
| Molecular Weight | 50.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 50.01565 |
| Heavy Atoms | 4 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 460-12-8 |
|---|---|
| SMILES | C#CC#C |
| InChIKey | LLCSWKVOHICRDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁二炔 (CAS 460-12-8), with molecular formula C4H2 and molecular weight 50.02 g/mol. IUPAC: buta-1,3-diyne.
Chemical Property Profile of 丁二炔
Property Insights of 丁二炔
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁二炔. With a topological polar surface area (TPSA) of 0.0 Ų, 丁二炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁二炔 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 丁二炔?
The CAS number of 丁二炔 is 460-12-8.
What is the molecular formula of 丁二炔?
The molecular formula of 丁二炔 is C4H2.
What is the molecular weight of 丁二炔?
The molecular weight of 丁二炔 is 50.02 g/mol.
Where can I buy 丁二炔?
You can request a quote for 丁二炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁二炔?
Yes, KEHONG BIO provides custom synthesis services for 丁二炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.