3N-741
TL;DR: 3N-741 (CAS 338416-28-7) is a chemical compound with molecular formula C23H21ClF3NO4S and molecular weight 499.08 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-butoxybenzenesulfonate
Also Known As: 3N-741, 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}phenyl 4-butoxybenzenesulfonate, [4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenyl] 4-butoxybenzenesulfonate, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}phenyl 4-butoxybenzene-1-sulfonate, 2-[[4-(4-butoxyphenyl)sulfonyloxyphenyl]methyl]-3-chloro-5-(trifluoromethyl)pyridine
| Molecular Formula | C23H21ClF3NO4S |
|---|---|
| Molecular Weight | 499.08 g/mol |
| LogP | 6.2912 |
| Topological Polar Surface Area | 65.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.0832 |
| Heavy Atoms | 33 |
| Complexity | 1181.8235 |
Chemical Identifiers
| CAS Number | 338416-28-7 |
|---|---|
| SMILES | CCCCOC1=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
3N-741 (CAS 338416-28-7), with molecular formula C23H21ClF3NO4S and molecular weight 499.08 g/mol. IUPAC: [4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl] 4-butoxybenzenesulfonate.
Chemical Property Profile of 3N-741
Property Insights of 3N-741
The XLogP value of 6.2912 indicates that 3N-741 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 3N-741. Following Lipinski's Rule of Five, 3N-741 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 3N-741?
The CAS number of 3N-741 is 338416-28-7.
What is the molecular formula of 3N-741?
The molecular formula of 3N-741 is C23H21ClF3NO4S.
What is the molecular weight of 3N-741?
The molecular weight of 3N-741 is 499.08 g/mol.
Where can I buy 3N-741?
You can request a quote for 3N-741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3N-741?
Yes, KEHONG BIO provides custom synthesis services for 3N-741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.