![isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/836/836641-22-6.png)
isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 836641-22-6) is a chemical compound with molecular formula C19H21N3O5S and molecular weight 403.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, propan-2-yl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, propan-2-yl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, propan-2-yl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C19H21N3O5S |
|---|---|
| Molecular Weight | 403.12 g/mol |
| LogP | 3.5851 |
| Topological Polar Surface Area | 102.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.12018 |
| Heavy Atoms | 28 |
| Complexity | 908.5851 |
Chemical Identifiers
| CAS Number | 836641-22-6 |
|---|---|
| SMILES | CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OC(C)C)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 836641-22-6), with molecular formula C19H21N3O5S and molecular weight 403.12 g/mol. IUPAC: propan-2-yl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 3.5851 indicates that isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.11 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 7 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 isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 836641-22-6.
What is the molecular formula of isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is C19H21N3O5S.
What is the molecular weight of isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 403.12 g/mol.
Where can I buy isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-ethyl-7-methyl-5-(3-nitrophenyl)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.