2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile
TL;DR: 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile (CAS 84671-66-9) is a chemical compound with molecular formula C13H8Br2N2S and molecular weight 381.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile
Also Known As: 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile, 2,5-dibromo-6-(methylthio)-4-phenylnicotinonitrile, 2,5-dibromo-6-methylthio-4-phenylpyridine-3-carbonitrile, 2,5-Dibromo-6-(methylsulfanyl)-4-phenylpyridine-3-carbonitrile, 2,5-dibromo-6-methylsulfanyl-4-phenyl-pyridine-3-carbonitrile
| Molecular Formula | C13H8Br2N2S |
|---|---|
| Molecular Weight | 381.88 g/mol |
| LogP | 4.86718 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.8775 |
| Heavy Atoms | 18 |
| Complexity | 620.3738 |
Chemical Identifiers
| CAS Number | 84671-66-9 |
|---|---|
| SMILES | CSC1=C(C(=C(C(=N1)Br)C#N)C2=CC=CC=C2)Br |
Product Overview
2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile (CAS 84671-66-9), with molecular formula C13H8Br2N2S and molecular weight 381.88 g/mol. IUPAC: 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile
Property Insights of 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile
The XLogP value of 4.86718 indicates that 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile 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 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile?
The CAS number of 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile is 84671-66-9.
What is the molecular formula of 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile?
The molecular formula of 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile is C13H8Br2N2S.
What is the molecular weight of 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile?
The molecular weight of 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile is 381.88 g/mol.
Where can I buy 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile?
You can request a quote for 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-dibromo-6-methylsulfanyl-4-phenylpyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.