2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile
TL;DR: 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile (CAS 536720-12-4) is a chemical compound with molecular formula C11H12Br2N2S and molecular weight 361.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dibromopropylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 2-((2,3-dibromopropyl)thio)-4,6-dimethylnicotinonitrile, F1159-0121, 2-(2,3-dibromopropylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile, 2-[(2,3-dibromopropyl)sulfanyl]-4,6-dimethylpyridine-3-carbonitrile, 2-(2,3-dibromopropylthio)-4,6-dimethylnicotinonitrile
| Molecular Formula | C11H12Br2N2S |
|---|---|
| Molecular Weight | 361.91 g/mol |
| LogP | 3.82062 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.90878 |
| Heavy Atoms | 16 |
| Complexity | 415.18097 |
Chemical Identifiers
| CAS Number | 536720-12-4 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SCC(CBr)Br)C |
Product Overview
2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile (CAS 536720-12-4), with molecular formula C11H12Br2N2S and molecular weight 361.91 g/mol. IUPAC: 2-(2,3-dibromopropylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile
Property Insights of 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile
The XLogP value of 3.82062 indicates that 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile has 0 hydrogen bond donor(s) and 3 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-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile?
The CAS number of 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile is 536720-12-4.
What is the molecular formula of 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile?
The molecular formula of 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile is C11H12Br2N2S.
What is the molecular weight of 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile?
The molecular weight of 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile is 361.91 g/mol.
Where can I buy 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile?
You can request a quote for 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,3-Dibromopropyl)thio)-4,6-dimethylnicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.