![Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/617/617696-94-3.png)
Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 617696-94-3) is a chemical compound with molecular formula C29H26N2O6S2 and molecular weight 562.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2E)-7-methyl-3-oxo-5-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, benzyl (2E)-7-methyl-3-oxo-5-(2-thienyl)-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, 644-421-3, BENZYL (2E)-7-METHYL-3-OXO-5-(2-THIENYL)-2-(3,4,5-TRIMETHOXYBENZYLIDENE)-2,3-DIHYDRO-5H-(1,3)THIAZOLO(3,2-A)PYRIMIDINE-6-CARBOXYLATE, benzyl (2E)-7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C29H26N2O6S2 |
|---|---|
| Molecular Weight | 562.12 g/mol |
| LogP | 4.0659 |
| Topological Polar Surface Area | 88.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.1232 |
| Heavy Atoms | 39 |
| Complexity | 1694.359 |
Chemical Identifiers
| CAS Number | 617696-94-3 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C\C3=CC(=C(C(=C3)OC)OC)OC)/SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5 |
Product Overview
Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 617696-94-3), with molecular formula C29H26N2O6S2 and molecular weight 562.12 g/mol. IUPAC: benzyl (2E)-7-methyl-3-oxo-5-thiophen-2-yl-2-[(3,4,5-trimethoxyphenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 4.0659 indicates that Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-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 88.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 617696-94-3.
What is the molecular formula of Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is C29H26N2O6S2.
What is the molecular weight of Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate is 562.12 g/mol.
Where can I buy Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-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 Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 7-methyl-3-oxo-5-(thiophen-2-yl)-2-(3,4,5-trimethoxybenzylidene)-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.