2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester
TL;DR: 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester (CAS 130832-81-4) is a chemical compound with molecular formula C22H24N2O5S and molecular weight 428.1406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(4-ethoxycarbonylphenyl)methylamino]-7-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxylate
Also Known As: 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester, 2-[[4-(Ethoxycarbonyl)benzyl]amino]-3,4-dihydro-3-oxo-7-methyl-2H-1,4-benzothiazine-2-carboxylic acid ethyl ester, Ethyl 2-({[4-(ethoxycarbonyl)phenyl]methyl}amino)-3-hydroxy-7-methyl-2H-1,4-benzothiazine-2-carboxylate, ethyl 2-({[4-(ethoxycarbonyl)phenyl]methyl}amino)-7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate, ethyl 2-[(4-ethoxycarbonylphenyl)methylamino]-7-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxylate
Technical Specifications
| Molecular Formula | C22H24N2O5S |
| Molecular Weight | 428.1406 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.1406 Da |
| Heavy Atoms | 30 |
| Complexity | 637.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)CNC2(C(=O)NC3=C(S2)C=C(C=C3)C)C(=O)OCC |
| InChIKey | SSKBHPLBEMXKRD-UHFFFAOYSA-N |
Chemical Property Profile of 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester
Property Insights of 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester
The XLogP value of 3.5 indicates that 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester. Following Lipinski's Rule of Five, 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester?
The CAS number of 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester is 130832-81-4.
What is the molecular formula of 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester?
The molecular formula of 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester is C22H24N2O5S.
What is the molecular weight of 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester?
The molecular weight of 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester is 428.1406 g/mol.
Where can I buy 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester?
You can request a quote for 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 2H-1,4-Benzothiazine-2-carboxylic acid, 3,4-dihydro-2-(((4-(ethoxycarbonyl)phenyl)methyl)amino)-7-methyl-3-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.