3N-742
TL;DR: 3N-742 (CAS 338416-31-2) is a chemical compound with molecular formula C19H12BrClF3NO3S and molecular weight 504.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 4-bromobenzenesulfonate
Also Known As: 3N-742, 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl 4-bromobenzenesulfonate, [4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] 4-bromobenzenesulfonate, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenyl 4-bromobenzene-1-sulfonate, 2-[[4-(4-bromophenyl)sulfonyloxyphenyl]methyl]-3-chloro-5-(trifluoromethyl)pyridine
| Molecular Formula | C19H12BrClF3NO3S |
|---|---|
| Molecular Weight | 504.94 g/mol |
| LogP | 5.8748 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.9362 |
| Heavy Atoms | 29 |
| Complexity | 1118.9315 |
Chemical Identifiers
| CAS Number | 338416-31-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=C(C=C(C=N2)C(F)(F)F)Cl)OS(=O)(=O)C3=CC=C(C=C3)Br |
Product Overview
3N-742 (CAS 338416-31-2), with molecular formula C19H12BrClF3NO3S and molecular weight 504.94 g/mol. IUPAC: [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 4-bromobenzenesulfonate.
Chemical Property Profile of 3N-742
Property Insights of 3N-742
The XLogP value of 5.8748 indicates that 3N-742 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 3N-742 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3N-742 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3N-742?
The CAS number of 3N-742 is 338416-31-2.
What is the molecular formula of 3N-742?
The molecular formula of 3N-742 is C19H12BrClF3NO3S.
What is the molecular weight of 3N-742?
The molecular weight of 3N-742 is 504.94 g/mol.
Where can I buy 3N-742?
You can request a quote for 3N-742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3N-742?
Yes, KEHONG BIO provides custom synthesis services for 3N-742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.