![ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure](/static/products/306/306309-85-3.png)
ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
TL;DR: ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 306309-85-3) is a chemical compound with molecular formula C22H18N2O5S2 and molecular weight 454.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-ethyl 2-(benzo[d][1,3]dioxol-5-ylmethylene)-7-methyl-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, ethyl 2-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethylene)-7-methyl-3-oxo-5-(2-thieny l)-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H18N2O5S2 |
|---|---|
| Molecular Weight | 454.07 g/mol |
| LogP | 2.5885 |
| Topological Polar Surface Area | 79.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.0657 |
| Heavy Atoms | 31 |
| Complexity | 1382.1061 |
Chemical Identifiers
| CAS Number | 306309-85-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/S2)C |
Product Overview
ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CAS 306309-85-3), with molecular formula C22H18N2O5S2 and molecular weight 454.07 g/mol. IUPAC: ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Property Insights of ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
The XLogP value of 2.5885 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. The TPSA of 79.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-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 ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The CAS number of ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 306309-85-3.
What is the molecular formula of ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is C22H18N2O5S2.
What is the molecular weight of ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is 454.07 g/mol.
Where can I buy ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]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 ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.