1,4-戊二炔
TL;DR: 1,4-戊二炔 (CAS 24442-69-1) is a chemical compound with molecular formula C5H4 and molecular weight 64.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-戊二炔
penta-1,4-diyne
Also Known As: Penta-1,4-diyne, 1,4-Pentadiyne, Diethinylmethan, CH.equiv.CCH2C.equiv.CH, 1,4-diazabicyclo[4.4.0]decane
| Molecular Formula | C5H4 |
|---|---|
| Molecular Weight | 64.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 64.0313 |
| Heavy Atoms | 5 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 24442-69-1 |
|---|---|
| SMILES | C#CCC#C |
| InChIKey | MDROPVLMRLHTDK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-戊二炔 (CAS 24442-69-1), with molecular formula C5H4 and molecular weight 64.03 g/mol. IUPAC: penta-1,4-diyne.
Chemical Property Profile of 1,4-戊二炔
Property Insights of 1,4-戊二炔
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-戊二炔. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-戊二炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-戊二炔 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 1,4-戊二炔?
The CAS number of 1,4-戊二炔 is 24442-69-1.
What is the molecular formula of 1,4-戊二炔?
The molecular formula of 1,4-戊二炔 is C5H4.
What is the molecular weight of 1,4-戊二炔?
The molecular weight of 1,4-戊二炔 is 64.03 g/mol.
Where can I buy 1,4-戊二炔?
You can request a quote for 1,4-戊二炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-戊二炔?
Yes, KEHONG BIO provides custom synthesis services for 1,4-戊二炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.