2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate
TL;DR: 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate (CAS 112595-66-1) is a chemical compound with molecular formula C8H9NO4S and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethyl-1,4-thiazine-2,5-dicarboxylic acid
Also Known As: Dhdm-thiazine, 6,6-dimethyl-1,4-thiazine-2,5-dicarboxylic acid, 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate, 2,2-dimethyl-2h-1,4-thiazine-3,6-dicarboxylic acid, 2H-1,4-Thiazine-3,6-dicarboxylicacid, 2,2-dimethyl-
| Molecular Formula | C8H9NO4S |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.02522 |
| Heavy Atoms | 14 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 112595-66-1 |
|---|---|
| SMILES | CC1(C(=NC=C(S1)C(=O)O)C(=O)O)C |
| InChIKey | JTNYBEXNIHETSP-UHFFFAOYSA-N |
Product Overview
2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate (CAS 112595-66-1), with molecular formula C8H9NO4S and molecular weight 215.03 g/mol. IUPAC: 6,6-dimethyl-1,4-thiazine-2,5-dicarboxylic acid.
Chemical Property Profile of 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate
Property Insights of 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate. Following Lipinski's Rule of Five, 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate has 2 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 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate?
The CAS number of 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate is 112595-66-1.
What is the molecular formula of 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate?
The molecular formula of 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate is C8H9NO4S.
What is the molecular weight of 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate?
The molecular weight of 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate is 215.03 g/mol.
Where can I buy 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate?
You can request a quote for 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-2,2-dimethyl-1,4-thiazine-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.