5L-542S
TL;DR: 5L-542S (CAS 338960-97-7) is a chemical compound with molecular formula C21H13F5N2O5 and molecular weight 468.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,4-difluorophenoxy)-3-nitrophenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate
Also Known As: 5L-542S, [4-(2,4-difluorophenoxy)-3-nitrophenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate, 4-(2,4-difluorophenoxy)-3-nitrobenzyl N-[3-(trifluoromethyl)phenyl]carbamate, [4-(2,4-difluorophenoxy)-3-nitro-phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate, [4-(2,4-difluorophenoxy)-3-nitrophenyl]methylN-[3-(trifluoromethyl)phenyl]carbamate
| Molecular Formula | C21H13F5N2O5 |
|---|---|
| Molecular Weight | 468.07 g/mol |
| LogP | 6.4328 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.07446 |
| Heavy Atoms | 33 |
| Complexity | 1199.9032 |
Chemical Identifiers
| CAS Number | 338960-97-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)OCC2=CC(=C(C=C2)OC3=C(C=C(C=C3)F)F)[N+](=O)[O-])C(F)(F)F |
Product Overview
5L-542S (CAS 338960-97-7), with molecular formula C21H13F5N2O5 and molecular weight 468.07 g/mol. IUPAC: [4-(2,4-difluorophenoxy)-3-nitrophenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate.
Chemical Property Profile of 5L-542S
Property Insights of 5L-542S
The XLogP value of 6.4328 indicates that 5L-542S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5L-542S. Following Lipinski's Rule of Five, 5L-542S has 1 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 5L-542S?
The CAS number of 5L-542S is 338960-97-7.
What is the molecular formula of 5L-542S?
The molecular formula of 5L-542S is C21H13F5N2O5.
What is the molecular weight of 5L-542S?
The molecular weight of 5L-542S is 468.07 g/mol.
Where can I buy 5L-542S?
You can request a quote for 5L-542S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5L-542S?
Yes, KEHONG BIO provides custom synthesis services for 5L-542S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.