Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide
TL;DR: Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide (CAS 123277-33-8) is a chemical compound with molecular formula C24H24ClN3O5S2 and molecular weight 533.0846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl] adamantane-1-carboxylate
Also Known As: Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide, [6-chloro-2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)thieno[2,3-e]thiazin-4-yl] adamantane-1-carboxylate, 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 adamantane-1-carboxylate
Technical Specifications
| Molecular Formula | C24H24ClN3O5S2 |
| Molecular Weight | 533.0846 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 533.0846 Da |
| Heavy Atoms | 35 |
| Complexity | 1020.0 |
| SMILES | CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)OC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC=N6 |
| InChIKey | AWDLXVOASZJACC-UHFFFAOYSA-N |
Chemical Property Profile of Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide
Property Insights of Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide
The XLogP value of 4.2 indicates that Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide?
The CAS number of Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide is 123277-33-8.
What is the molecular formula of Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide?
The molecular formula of Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide is C24H24ClN3O5S2.
What is the molecular weight of Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide?
The molecular weight of Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide is 533.0846 g/mol.
Where can I buy Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide?
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Does CoreyChem offer custom synthesis for Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide?
Yes, CoreyChem provides custom synthesis services for Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.