2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-
TL;DR: 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))- (CAS 153881-27-7) is a chemical compound with molecular formula C14H19N3O5S2 and molecular weight 373.0766 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R)-8-[(2R)-2-amino-2-carboxyethyl]sulfanyl-7-(2-aminoethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid
Also Known As: 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-, (3R)-7-(2-aminoethyl)-8-[(2R)-2-amino-3-hydroxy-3-oxopropyl]sulfanyl-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid, (3R)-8-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-7-(2-aminoethyl)-5-hydroxy-3,4-dihydro-2H-1,4-benzothiazine-3-carboxylic acid
Technical Specifications
| Molecular Formula | C14H19N3O5S2 |
| Molecular Weight | 373.0766 g/mol |
| XLogP | -4.6 |
| Topological Polar Surface Area (TPSA) | 210.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 373.0766 Da |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
| SMILES | C1[C@H](NC2=C(C=C(C(=C2S1)SC[C@@H](C(=O)O)N)CCN)O)C(=O)O |
| InChIKey | FLUIFCZFFJOTCF-YUMQZZPRSA-N |
Chemical Property Profile of 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-
Property Insights of 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-
The XLogP value of -4.6 indicates that 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.0 Ų indicates high polarity, suggesting 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))- has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-?
The CAS number of 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))- is 153881-27-7.
What is the molecular formula of 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-?
The molecular formula of 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))- is C14H19N3O5S2.
What is the molecular weight of 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-?
The molecular weight of 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))- is 373.0766 g/mol.
Where can I buy 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-?
You can request a quote for 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))-?
Yes, CoreyChem provides custom synthesis services for 2H-1,4-Benzothiazine-3-carboxylic acid, 3,4-dihydro-8-((2-amino-2-carboxyethyl)thio)-7-(2-aminoethyl)-5-hydroxy-, (R-(R*,R*))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.