Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
TL;DR: Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate (CAS 204863-53-6) is a chemical compound with molecular formula C11H11NO3S and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
Also Known As: ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate, ETHYL 3-OXO-3,4-DIHYDRO-2H-BENZO[B][1,4]THIAZINE-6-CARBOXYLATE, ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate, 4-(4-OXO-PIPERIDINE-1-CARBONYL)-BENZAMIDE, 4-(4-oxopiperidine-1-carbonyl)benzamide
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 1.9075 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.04596 |
| Heavy Atoms | 16 |
| Complexity | 444.85587 |
Chemical Identifiers
| CAS Number | 204863-53-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)SCC(=O)N2 |
Product Overview
Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate (CAS 204863-53-6), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate.
Chemical Property Profile of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Property Insights of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
The XLogP value of 1.9075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate has 1 hydrogen bond donor(s) and 4 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 Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
The CAS number of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate is 204863-53-6.
What is the molecular formula of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
The molecular formula of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate is C11H11NO3S.
What is the molecular weight of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
The molecular weight of Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate is 237.05 g/mol.
Where can I buy Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
You can request a quote for Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.