Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
TL;DR: Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide (CAS 29209-29-8) is a chemical compound with molecular formula C10H9NO5S and molecular weight 255.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,1,4-trioxo-2,3-dihydro-1λ6,2-benzothiazine-3-carboxylate
Also Known As: Methyl C4-oxophenylalaninate 1,1-dioxide, methyl 1,1,4-trioxo-2,3-dihydro-1, Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide, methyl 4-oxo-3,4-dihydro-2h-1,2-benzothiazine-3-carboxylate1,1-dioxide, 2H-1,2-Benzothiazine-3-carboxylic acid, 3,4-dihydro-4-oxo-, methyl ester, 1,1-dioxide
| Molecular Formula | C10H9NO5S |
|---|---|
| Molecular Weight | 255.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 97.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.02014 |
| Heavy Atoms | 17 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 29209-29-8 |
|---|---|
| SMILES | COC(=O)C1C(=O)C2=CC=CC=C2S(=O)(=O)N1 |
| InChIKey | HJAKVQDJSUIRPK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide (CAS 29209-29-8), with molecular formula C10H9NO5S and molecular weight 255.02 g/mol. IUPAC: methyl 1,1,4-trioxo-2,3-dihydro-1λ6,2-benzothiazine-3-carboxylate.
Chemical Property Profile of Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
Property Insights of Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide. The TPSA of 97.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide. Following Lipinski's Rule of Five, Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide 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 Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide?
The CAS number of Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide is 29209-29-8.
What is the molecular formula of Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide?
The molecular formula of Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide is C10H9NO5S.
What is the molecular weight of Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide?
The molecular weight of Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide is 255.02 g/mol.
Where can I buy Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide?
You can request a quote for Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,4-dihydro-4-oxo-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.