6-Bromo-2,2-dimethylhexanenitrile
TL;DR: 6-Bromo-2,2-dimethylhexanenitrile (CAS 53545-96-3) is a chemical compound with molecular formula C8H14BrN and molecular weight 203.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-2,2-dimethylhexanenitrile
Also Known As: 6-Bromo-2,2-dimethylhexanenitrile, 3-Amino-4-cyanopyridine, 6-bromo-2,2-dimethyl-hexanenitrile, 5-cyano-5-methyl-1-bromohexane, 5-cyano-5-methyl1-bromohexane
| Molecular Formula | C8H14BrN |
|---|---|
| Molecular Weight | 203.03 g/mol |
| LogP | 3.10138 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 203.03096 |
| Heavy Atoms | 10 |
| Complexity | 123.7095 |
Chemical Identifiers
| CAS Number | 53545-96-3 |
|---|---|
| SMILES | CC(C)(CCCCBr)C#N |
Product Overview
6-Bromo-2,2-dimethylhexanenitrile (CAS 53545-96-3), with molecular formula C8H14BrN and molecular weight 203.03 g/mol. IUPAC: 6-bromo-2,2-dimethylhexanenitrile.
Chemical Property Profile of 6-Bromo-2,2-dimethylhexanenitrile
Property Insights of 6-Bromo-2,2-dimethylhexanenitrile
The XLogP value of 3.10138 indicates that 6-Bromo-2,2-dimethylhexanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 6-Bromo-2,2-dimethylhexanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromo-2,2-dimethylhexanenitrile 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 6-Bromo-2,2-dimethylhexanenitrile?
The CAS number of 6-Bromo-2,2-dimethylhexanenitrile is 53545-96-3.
What is the molecular formula of 6-Bromo-2,2-dimethylhexanenitrile?
The molecular formula of 6-Bromo-2,2-dimethylhexanenitrile is C8H14BrN.
What is the molecular weight of 6-Bromo-2,2-dimethylhexanenitrile?
The molecular weight of 6-Bromo-2,2-dimethylhexanenitrile is 203.03 g/mol.
Where can I buy 6-Bromo-2,2-dimethylhexanenitrile?
You can request a quote for 6-Bromo-2,2-dimethylhexanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromo-2,2-dimethylhexanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-2,2-dimethylhexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.