J2.578.536C
TL;DR: J2.578.536C (CAS 610259-26-2) is a chemical compound with molecular formula C13H6BrF3N2S and molecular weight 357.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
Also Known As: J2.578.536C, 6-(4-Bromophenyl)-4-(trifluoromethyl)-1,2-dihydro-2-thioxopyridine-3-carbonitrile, 6-(4-bromophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile, 6-(4-bromophenyl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile, 6-(4-bromophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
| Molecular Formula | C13H6BrF3N2S |
|---|---|
| Molecular Weight | 357.94 g/mol |
| LogP | 5.06417 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 357.93872 |
| Heavy Atoms | 20 |
| Complexity | 742.1823 |
Chemical Identifiers
| CAS Number | 610259-26-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=C(C(=S)N2)C#N)C(F)(F)F)Br |
Product Overview
J2.578.536C (CAS 610259-26-2), with molecular formula C13H6BrF3N2S and molecular weight 357.94 g/mol. IUPAC: 6-(4-bromophenyl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
Chemical Property Profile of J2.578.536C
Property Insights of J2.578.536C
The XLogP value of 5.06417 indicates that J2.578.536C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, J2.578.536C exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J2.578.536C has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J2.578.536C?
The CAS number of J2.578.536C is 610259-26-2.
What is the molecular formula of J2.578.536C?
The molecular formula of J2.578.536C is C13H6BrF3N2S.
What is the molecular weight of J2.578.536C?
The molecular weight of J2.578.536C is 357.94 g/mol.
Where can I buy J2.578.536C?
You can request a quote for J2.578.536C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.578.536C?
Yes, KEHONG BIO provides custom synthesis services for J2.578.536C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.