(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate
TL;DR: (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate (CAS 139564-95-7) 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.
(3-oxo-4H-1,4-benzothiazin-2-yl)methyl acetate
Also Known As: (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate, (3-oxo-4H-1,4-benzothiazin-2-yl)methyl acetate, (3-oxo-2,4-dihydro-1,4-benzothiazin-2-yl)methyl acetate, (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methylacetate, 2H-1,4-Benzothiazin-3(4H)-one, 2-[(acetyloxy)methyl]-, ( inverted exclamation markA)-
| 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 | 139564-95-7 |
|---|---|
| SMILES | CC(=O)OCC1C(=O)NC2=CC=CC=C2S1 |
Product Overview
(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate (CAS 139564-95-7), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: (3-oxo-4H-1,4-benzothiazin-2-yl)methyl acetate.
Chemical Property Profile of (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate
Property Insights of (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate
The XLogP value of 1.6625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate. With a topological polar surface area (TPSA) of 55.4 Ų, (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl 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 (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate?
The CAS number of (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate is 139564-95-7.
What is the molecular formula of (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate?
The molecular formula of (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate is C11H11NO3S.
What is the molecular weight of (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate?
The molecular weight of (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate is 237.05 g/mol.
Where can I buy (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate?
You can request a quote for (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.