Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide
TL;DR: Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide (CAS 123253-01-0) is a chemical compound with molecular formula C19H18ClN3O7S2 and molecular weight 499.02747 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-O-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl] 3-O-methyl 2,2-dimethylpropanedioate
Also Known As: Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide, 1-O-[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl] 3-O-methyl 2,2-dimethylpropanedioate, 6-Chloro-2-methyl-1,1-dioxo-3-[(pyridin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~-thieno[2,3-e][1,2]thiazin-4-yl methyl dimethylpropanedioate
Technical Specifications
| Molecular Formula | C19H18ClN3O7S2 |
| Molecular Weight | 499.02747 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 169.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.02747 Da |
| Heavy Atoms | 32 |
| Complexity | 932.0 |
| SMILES | CC(C)(C(=O)OC)C(=O)OC1=C(N(S(=O)(=O)C2=C1SC(=C2)Cl)C)C(=O)NC3=CC=CC=N3 |
| InChIKey | DSRNSJLBASDURF-UHFFFAOYSA-N |
Chemical Property Profile of Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide
Property Insights of Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide. The TPSA of 169.0 Ų indicates high polarity, suggesting Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide?
The CAS number of Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide is 123253-01-0.
What is the molecular formula of Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide?
The molecular formula of Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide is C19H18ClN3O7S2.
What is the molecular weight of Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide?
The molecular weight of Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide is 499.02747 g/mol.
Where can I buy Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide?
You can request a quote for Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide?
Yes, CoreyChem provides custom synthesis services for Propanedioic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.