2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester
TL;DR: 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester (CAS 54824-05-4) is a chemical compound with molecular formula C7H11N3O3S and molecular weight 217.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-2-methylimino-4-oxo-1,3-thiazinane-6-carboxylate
Also Known As: 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester, methyl 3-amino-2-(methylimino)-4-oxo-1,3-thiazinane-6-carboxylate, methyl 3-amino-2-methylimino-4-oxo-1,3-thiazinane-6-carboxylate, 3-Amino-3,4,5,6-tetrahydro-2-(methylimino)-4-oxo-2H-1,3-thiazine-6-carboxylic acid methyl ester, 3-Amino-3,4,5,6-tetrahydro-2- -4-oxo-2H-1,3-thiazine-6-carboxylicacidmethylester
| Molecular Formula | C7H11N3O3S |
|---|---|
| Molecular Weight | 217.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.05211 |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 54824-05-4 |
|---|---|
| SMILES | CN=C1N(C(=O)CC(S1)C(=O)OC)N |
| InChIKey | WABDQHYMTABORC-UHFFFAOYSA-N |
Product Overview
2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester (CAS 54824-05-4), with molecular formula C7H11N3O3S and molecular weight 217.05 g/mol. IUPAC: methyl 3-amino-2-methylimino-4-oxo-1,3-thiazinane-6-carboxylate.
Chemical Property Profile of 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester
Property Insights of 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester
The XLogP value of -0.5 indicates that 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester. Following Lipinski's Rule of Five, 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester has 1 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 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester?
The CAS number of 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester is 54824-05-4.
What is the molecular formula of 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester?
The molecular formula of 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester is C7H11N3O3S.
What is the molecular weight of 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester?
The molecular weight of 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester is 217.05 g/mol.
Where can I buy 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester?
You can request a quote for 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,3-Thiazine-6-carboxylic acid, 3-aminotetrahydro-2-(methylimino)-4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.