2,3-Dibromobut-2-enedinitrile
TL;DR: 2,3-Dibromobut-2-enedinitrile (CAS 29262-20-2) is a chemical compound with molecular formula C4Br2N2 and molecular weight 233.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromobut-2-enedinitrile
Also Known As: Fumaronitrile, dibromo-
| Molecular Formula | C4Br2N2 |
|---|---|
| Molecular Weight | 233.84 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.84077 |
| Heavy Atoms | 8 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 29262-20-2 |
|---|---|
| SMILES | C(#N)C(=C(C#N)Br)Br |
| InChIKey | YDJLCLZXGWNFDS-UHFFFAOYSA-N |
Product Overview
2,3-Dibromobut-2-enedinitrile (CAS 29262-20-2), with molecular formula C4Br2N2 and molecular weight 233.84 g/mol. IUPAC: 2,3-dibromobut-2-enedinitrile.
Chemical Property Profile of 2,3-Dibromobut-2-enedinitrile
Property Insights of 2,3-Dibromobut-2-enedinitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dibromobut-2-enedinitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2,3-Dibromobut-2-enedinitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromobut-2-enedinitrile has 0 hydrogen bond donor(s) and 2 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 2,3-Dibromobut-2-enedinitrile?
The CAS number of 2,3-Dibromobut-2-enedinitrile is 29262-20-2.
What is the molecular formula of 2,3-Dibromobut-2-enedinitrile?
The molecular formula of 2,3-Dibromobut-2-enedinitrile is C4Br2N2.
What is the molecular weight of 2,3-Dibromobut-2-enedinitrile?
The molecular weight of 2,3-Dibromobut-2-enedinitrile is 233.84 g/mol.
Where can I buy 2,3-Dibromobut-2-enedinitrile?
You can request a quote for 2,3-Dibromobut-2-enedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromobut-2-enedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromobut-2-enedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.