1,4-Dibromo-2-butyne
TL;DR: 1,4-Dibromo-2-butyne (CAS 2219-66-1) is a chemical compound with molecular formula C4H4Br2 and molecular weight 209.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dibromobut-2-yne
Also Known As: 1,4-Dibromo-2-butyne, 1,4-Dibromobut-2-yne, 2-Butyne, 1,4-dibromo-, 1,4-Dibromobutyne, 1,4-Dibromobutyne-2
| Molecular Formula | C4H4Br2 |
|---|---|
| Molecular Weight | 209.87 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 211.86594 |
| Heavy Atoms | 6 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 2219-66-1 |
|---|---|
| SMILES | C(C#CCBr)Br |
| InChIKey | SAJMJXZROMTSEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dibromo-2-butyne (CAS 2219-66-1), with molecular formula C4H4Br2 and molecular weight 209.87 g/mol. IUPAC: 1,4-dibromobut-2-yne.
Chemical Property Profile of 1,4-Dibromo-2-butyne
Property Insights of 1,4-Dibromo-2-butyne
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dibromo-2-butyne. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dibromo-2-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dibromo-2-butyne 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-Dibromo-2-butyne?
The CAS number of 1,4-Dibromo-2-butyne is 2219-66-1.
What is the molecular formula of 1,4-Dibromo-2-butyne?
The molecular formula of 1,4-Dibromo-2-butyne is C4H4Br2.
What is the molecular weight of 1,4-Dibromo-2-butyne?
The molecular weight of 1,4-Dibromo-2-butyne is 209.87 g/mol.
Where can I buy 1,4-Dibromo-2-butyne?
You can request a quote for 1,4-Dibromo-2-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dibromo-2-butyne?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dibromo-2-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.