Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
TL;DR: Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate (CAS 303987-90-8) 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.
methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate
Also Known As: Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate, methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate, methylmethyloxodihydrobenzothiazinecarboxylate, Methyl 4-methyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxylate, Methyl 3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzothiazine-6-carboxylate
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 1.5417 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.04596 |
| Heavy Atoms | 16 |
| Complexity | 458.54294 |
Chemical Identifiers
| CAS Number | 303987-90-8 |
|---|---|
| SMILES | CN1C(=O)CSC2=C1C=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate (CAS 303987-90-8), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: methyl 4-methyl-3-oxo-1,4-benzothiazine-6-carboxylate.
Chemical Property Profile of Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Property Insights of Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
The XLogP value of 1.5417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate. With a topological polar surface area (TPSA) of 46.61 Ų, Methyl 4-methyl-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, Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate has 0 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 Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
The CAS number of Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate is 303987-90-8.
What is the molecular formula of Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
The molecular formula of Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate is C11H11NO3S.
What is the molecular weight of Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
The molecular weight of Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate is 237.05 g/mol.
Where can I buy Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
You can request a quote for Methyl 4-methyl-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 Methyl 4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-methyl-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.