ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate
TL;DR: ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate (CAS 28731-96-6) 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-2-carboxylate
Also Known As: ChemDiv2_003257, ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate, ethyl 3-oxo-4H-1,4-benzothiazine-2-carboxylate, Ethyl 3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-2-carboxylate, J1.894.771D
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 1.6625 |
| 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 | 432.99277 |
Chemical Identifiers
| CAS Number | 28731-96-6 |
|---|---|
| SMILES | CCOC(=O)C1C(=O)NC2=CC=CC=C2S1 |
Product Overview
ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate (CAS 28731-96-6), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: ethyl 3-oxo-4H-1,4-benzothiazine-2-carboxylate.
Chemical Property Profile of ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate
Property Insights of ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate
The XLogP value of 1.6625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-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-2-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-2-carboxylate?
The CAS number of ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate is 28731-96-6.
What is the molecular formula of ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate?
The molecular formula of ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate is C11H11NO3S.
What is the molecular weight of ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate?
The molecular weight of ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate is 237.05 g/mol.
Where can I buy ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate?
You can request a quote for ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-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-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.