5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester
TL;DR: 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester (CAS 122945-83-9) is a chemical compound with molecular formula C16H12N2O3S2 and molecular weight 344.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 12-methyl-10-oxo-8,14-dithia-11,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaene-13-carboxylate
Also Known As: 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester, Ethyl 3-methyl-5-oxo-5H-[1]benzothieno[3,2-d][1,3]thiazolo[3,2-a]pyrimidine-2-carboxylate, BRN 5998920, RefChem:305131
| Molecular Formula | C16H12N2O3S2 |
|---|---|
| Molecular Weight | 344.03 g/mol |
| LogP | 3.60902 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.02893 |
| Heavy Atoms | 23 |
| Complexity | 1137.0509 |
Chemical Identifiers
| CAS Number | 122945-83-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N2C(=O)C3=C(C4=CC=CC=C4S3)N=C2S1)C |
Product Overview
5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester (CAS 122945-83-9), with molecular formula C16H12N2O3S2 and molecular weight 344.03 g/mol. IUPAC: ethyl 12-methyl-10-oxo-8,14-dithia-11,16-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,15-hexaene-13-carboxylate.
Chemical Property Profile of 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester
Property Insights of 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester
The XLogP value of 3.60902 indicates that 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester. Following Lipinski's Rule of Five, 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 6 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 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester?
The CAS number of 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester is 122945-83-9.
What is the molecular formula of 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester?
The molecular formula of 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester is C16H12N2O3S2.
What is the molecular weight of 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester?
The molecular weight of 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester is 344.03 g/mol.
Where can I buy 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester?
You can request a quote for 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5H-(1)Benzothieno(3,2-d)thiazolo(3,2-a)pyrimidine-2-carboxylic acid, 3-methyl-5-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.