2,3-Dibromo-2-methylbutyronitrile
TL;DR: 2,3-Dibromo-2-methylbutyronitrile (CAS 85554-83-2) is a chemical compound with molecular formula C5H7Br2N and molecular weight 238.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dibromo-2-methylbutanenitrile
Also Known As: 2,3-dibromo-2-methylbutanenitrile, 2,3-Dibromo-2-methylbutyronitrile, EINECS 287-617-0, 2,3-Dibrom-2-methyl-butylnitril, Butanenitrile,2,3-dibromo-2-methyl-
| Molecular Formula | C5H7Br2N |
|---|---|
| Molecular Weight | 238.89 g/mol |
| LogP | 2.44698 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.89452 |
| Heavy Atoms | 8 |
| Complexity | 112.0873 |
Chemical Identifiers
| CAS Number | 85554-83-2 |
|---|---|
| SMILES | CC(C(C)(C#N)Br)Br |
Product Overview
2,3-Dibromo-2-methylbutyronitrile (CAS 85554-83-2), with molecular formula C5H7Br2N and molecular weight 238.89 g/mol. IUPAC: 2,3-dibromo-2-methylbutanenitrile.
Chemical Property Profile of 2,3-Dibromo-2-methylbutyronitrile
Property Insights of 2,3-Dibromo-2-methylbutyronitrile
The XLogP value of 2.44698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dibromo-2-methylbutyronitrile. With a topological polar surface area (TPSA) of 23.79 Ų, 2,3-Dibromo-2-methylbutyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dibromo-2-methylbutyronitrile has 0 hydrogen bond donor(s) and 1 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-Dibromo-2-methylbutyronitrile?
The CAS number of 2,3-Dibromo-2-methylbutyronitrile is 85554-83-2.
What is the molecular formula of 2,3-Dibromo-2-methylbutyronitrile?
The molecular formula of 2,3-Dibromo-2-methylbutyronitrile is C5H7Br2N.
What is the molecular weight of 2,3-Dibromo-2-methylbutyronitrile?
The molecular weight of 2,3-Dibromo-2-methylbutyronitrile is 238.89 g/mol.
Where can I buy 2,3-Dibromo-2-methylbutyronitrile?
You can request a quote for 2,3-Dibromo-2-methylbutyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dibromo-2-methylbutyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dibromo-2-methylbutyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.