2L-039
TL;DR: 2L-039 (CAS 338775-49-8) is a chemical compound with molecular formula C21H16ClF3N2O5S and molecular weight 500.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfonylamino]benzoate
Also Known As: 2L-039, ethyl 4-{[(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)sulfonyl]amino}benzenecarboxylate, ethyl 4-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]sulfonylamino]benzoate, ethyl 4-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonamido)benzoate, ethyl4-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonamido)benzoate
| Molecular Formula | C21H16ClF3N2O5S |
|---|---|
| Molecular Weight | 500.04 g/mol |
| LogP | 5.5236 |
| Topological Polar Surface Area | 94.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.04205 |
| Heavy Atoms | 33 |
| Complexity | 1248.387 |
Chemical Identifiers
| CAS Number | 338775-49-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2L-039 (CAS 338775-49-8), with molecular formula C21H16ClF3N2O5S and molecular weight 500.04 g/mol. IUPAC: ethyl 4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfonylamino]benzoate.
Chemical Property Profile of 2L-039
Property Insights of 2L-039
The XLogP value of 5.5236 indicates that 2L-039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2L-039. Following Lipinski's Rule of Five, 2L-039 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2L-039?
The CAS number of 2L-039 is 338775-49-8.
What is the molecular formula of 2L-039?
The molecular formula of 2L-039 is C21H16ClF3N2O5S.
What is the molecular weight of 2L-039?
The molecular weight of 2L-039 is 500.04 g/mol.
Where can I buy 2L-039?
You can request a quote for 2L-039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2L-039?
Yes, KEHONG BIO provides custom synthesis services for 2L-039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.