1,4-二溴丁-2-烯
TL;DR: 1,4-二溴丁-2-烯 (CAS 821-06-7) is a chemical compound with molecular formula C4H6Br2 and molecular weight 211.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-二溴丁-2-烯
1,4-dibromobut-2-ene
Also Known As: 1,4-Dibromo-2-butene, 1,4-Dibromobut-2-ene, trans-1,4-Dibromo-2-Butene, 1,4-dibromobutene, (E)-1,4-Dibromobut-2-ene
| Molecular Formula | C4H6Br2 |
|---|---|
| Molecular Weight | 211.88 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.88158 |
| Heavy Atoms | 6 |
| Complexity | 34.0 |
Chemical Identifiers
| CAS Number | 821-06-7 |
|---|---|
| SMILES | C(C=CCBr)Br |
| InChIKey | RMXLHIUHKIVPAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-二溴丁-2-烯 (CAS 821-06-7), with molecular formula C4H6Br2 and molecular weight 211.88 g/mol. IUPAC: 1,4-dibromobut-2-ene.
Chemical Property Profile of 1,4-二溴丁-2-烯
Property Insights of 1,4-二溴丁-2-烯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-二溴丁-2-烯. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-二溴丁-2-烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-二溴丁-2-烯 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 1,4-二溴丁-2-烯?
The CAS number of 1,4-二溴丁-2-烯 is 821-06-7.
What is the molecular formula of 1,4-二溴丁-2-烯?
The molecular formula of 1,4-二溴丁-2-烯 is C4H6Br2.
What is the molecular weight of 1,4-二溴丁-2-烯?
The molecular weight of 1,4-二溴丁-2-烯 is 211.88 g/mol.
Where can I buy 1,4-二溴丁-2-烯?
You can request a quote for 1,4-二溴丁-2-烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-二溴丁-2-烯?
Yes, KEHONG BIO provides custom synthesis services for 1,4-二溴丁-2-烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.