4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
TL;DR: 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate (CAS 838403-37-5) is a chemical compound with molecular formula C21H19N3O6S and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
Also Known As: (4-nitrophenyl)methyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate, 4-nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate, (4-nitrophenyl)methyl 1-(6-ethoxybenzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxylate, 4-nitrobenzyl 1-(6-ethoxybenzo[d]thiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
| Molecular Formula | C21H19N3O6S |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 3.6995 |
| Topological Polar Surface Area | 111.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.09946 |
| Heavy Atoms | 31 |
| Complexity | 1143.7275 |
Chemical Identifiers
| CAS Number | 838403-37-5 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N3CC(CC3=O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate (CAS 838403-37-5), with molecular formula C21H19N3O6S and molecular weight 441.10 g/mol. IUPAC: (4-nitrophenyl)methyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
Property Insights of 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
The XLogP value of 3.6995 indicates that 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate. Following Lipinski's Rule of Five, 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate?
The CAS number of 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate is 838403-37-5.
What is the molecular formula of 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate?
The molecular formula of 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate is C21H19N3O6S.
What is the molecular weight of 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate?
The molecular weight of 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate is 441.10 g/mol.
Where can I buy 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate?
You can request a quote for 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl 1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.