![Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate structure](/static/products/853/853597-49-6.png)
Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 853597-49-6) is a chemical compound with molecular formula C22H21N3O7S and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methoxyphenyl)-2-oxo-6-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-(4-methoxyphenyl)-2-oxo-6-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C22H21N3O7S |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 1.711 |
| Topological Polar Surface Area | 131.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.11002 |
| Heavy Atoms | 33 |
| Complexity | 1269.1495 |
Chemical Identifiers
| CAS Number | 853597-49-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)CN3C(=O)C4=CC=CC=C4S3(=O)=O |
Product Overview
Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 853597-49-6), with molecular formula C22H21N3O7S and molecular weight 471.11 g/mol. IUPAC: ethyl 4-(4-methoxyphenyl)-2-oxo-6-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 1.711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 131.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 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 Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 853597-49-6.
What is the molecular formula of Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C22H21N3O7S.
What is the molecular weight of Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 471.11 g/mol.
Where can I buy Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-((1,1-dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.