Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate
TL;DR: Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate (CAS 7556-63-0) 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 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate
Also Known As: METHYL 3,4-DIHYDRO-3-OXO-2H-1,4-BENZOTHIAZINE-2-ACETATE, methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate, 7388AH, Methyl 2-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetate, Methyl [2H-1,4-benzothiazin-3(4H)-one-2-yl]acetate
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.04596 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 7556-63-0 |
|---|---|
| SMILES | COC(=O)CC1C(=O)NC2=CC=CC=C2S1 |
| InChIKey | ZAQAENJTGPJUEZ-UHFFFAOYSA-N |
Product Overview
Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate (CAS 7556-63-0), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: methyl 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate.
Chemical Property Profile of Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate
Property Insights of Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate. Following Lipinski's Rule of Five, Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate 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 Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate?
The CAS number of Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate is 7556-63-0.
What is the molecular formula of Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate?
The molecular formula of Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate is C11H11NO3S.
What is the molecular weight of Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate?
The molecular weight of Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate is 237.05 g/mol.
Where can I buy Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate?
You can request a quote for Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.