7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine
TL;DR: 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine (CAS 74004-56-1) is a chemical compound with molecular formula C17H16N4O4S and molecular weight 372.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-nitrophenyl)-7-thia-5,6,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-9-carboxylate
Also Known As: 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine, Imidazo(2',1':2,3)thiazolo(5,4-c)pyridine-7(6H)-carboxylic acid, 5,8-dihydro-2-(4-nitrophenyl)-, ethyl ester, Ethyl 2-(4-nitrophenyl)-1,2,3,3a-tetrahydropyrazolo[1',5':2,3][1,2]thiazolo[5,4-c]pyridine-7-carboxylate, RefChem:348665
| Molecular Formula | C17H16N4O4S |
|---|---|
| Molecular Weight | 372.09 g/mol |
| LogP | 3.1799 |
| Topological Polar Surface Area | 97.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.08923 |
| Heavy Atoms | 26 |
| Complexity | 873.56665 |
Chemical Identifiers
| CAS Number | 74004-56-1 |
|---|---|
| SMILES | CCOC(=O)C1=NC=CC2=C1SN3C2CC(N3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine (CAS 74004-56-1), with molecular formula C17H16N4O4S and molecular weight 372.09 g/mol. IUPAC: ethyl 4-(4-nitrophenyl)-7-thia-5,6,10-triazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene-9-carboxylate.
Chemical Property Profile of 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine
Property Insights of 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine
The XLogP value of 3.1799 indicates that 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine. Following Lipinski's Rule of Five, 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine has 1 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 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine?
The CAS number of 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine is 74004-56-1.
What is the molecular formula of 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine?
The molecular formula of 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine is C17H16N4O4S.
What is the molecular weight of 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine?
The molecular weight of 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine is 372.09 g/mol.
Where can I buy 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine?
You can request a quote for 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 7-Ethoxycarbonyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo(2',1':2,3)thiazolo(5,4-c)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.