5N-303S
TL;DR: 5N-303S (CAS 338963-35-2) is a chemical compound with molecular formula C19H9BrClF3N2S and molecular weight 467.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)sulfanyl-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 5N-303S, 2-[(4-bromophenyl)sulfanyl]-6-(3-chlorophenyl)-4-(trifluoromethyl)nicotinonitrile, 2-(4-bromophenyl)sulfanyl-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile, 2-[(4-bromophenyl)sulfanyl]-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C19H9BrClF3N2S |
|---|---|
| Molecular Weight | 467.93 g/mol |
| LogP | 7.20618 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.93103 |
| Heavy Atoms | 27 |
| Complexity | 1030.6052 |
Chemical Identifiers
| CAS Number | 338963-35-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SC3=CC=C(C=C3)Br |
Product Overview
5N-303S (CAS 338963-35-2), with molecular formula C19H9BrClF3N2S and molecular weight 467.93 g/mol. IUPAC: 2-(4-bromophenyl)sulfanyl-6-(3-chlorophenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 5N-303S
Property Insights of 5N-303S
The XLogP value of 7.20618 indicates that 5N-303S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 5N-303S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5N-303S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5N-303S?
The CAS number of 5N-303S is 338963-35-2.
What is the molecular formula of 5N-303S?
The molecular formula of 5N-303S is C19H9BrClF3N2S.
What is the molecular weight of 5N-303S?
The molecular weight of 5N-303S is 467.93 g/mol.
Where can I buy 5N-303S?
You can request a quote for 5N-303S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5N-303S?
Yes, KEHONG BIO provides custom synthesis services for 5N-303S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.