2N-775
TL;DR: 2N-775 (CAS 338402-41-8) is a chemical compound with molecular formula C20H15ClF3NO4S and molecular weight 457.04 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-methoxybenzenesulfonate
Also Known As: 2N-775, 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl 4-methoxybenzenesulfonate, [4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] 4-methoxybenzenesulfonate, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenyl 4-methoxybenzene-1-sulfonate, 3-chloro-2-[[4-(4-methoxyphenyl)sulfonyloxyphenyl]methyl]-5-(trifluoromethyl)pyridine
| Molecular Formula | C20H15ClF3NO4S |
|---|---|
| Molecular Weight | 457.04 g/mol |
| LogP | 5.1209 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 457.03625 |
| Heavy Atoms | 30 |
| Complexity | 1132.2084 |
Chemical Identifiers
| CAS Number | 338402-41-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2N-775 (CAS 338402-41-8), with molecular formula C20H15ClF3NO4S and molecular weight 457.04 g/mol. IUPAC: [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 4-methoxybenzenesulfonate.
Chemical Property Profile of 2N-775
Property Insights of 2N-775
The XLogP value of 5.1209 indicates that 2N-775 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2N-775. Following Lipinski's Rule of Five, 2N-775 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2N-775?
The CAS number of 2N-775 is 338402-41-8.
What is the molecular formula of 2N-775?
The molecular formula of 2N-775 is C20H15ClF3NO4S.
What is the molecular weight of 2N-775?
The molecular weight of 2N-775 is 457.04 g/mol.
Where can I buy 2N-775?
You can request a quote for 2N-775 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2N-775?
Yes, KEHONG BIO provides custom synthesis services for 2N-775 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.