methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
TL;DR: methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate (CAS 54255-33-3) is a chemical compound with molecular formula C11H9NO3S and molecular weight 235.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
Also Known As: methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate, J3.599.745H, (3,4-Dihydro-3-oxo-2H-1,4-benzothiazine-2-ylidene)acetic acid methyl ester, METHYL 2-[(2Z)-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YLIDENE]ACETATE, methyl (2Z)-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)acetate
| Molecular Formula | C11H9NO3S |
|---|---|
| Molecular Weight | 235.03 g/mol |
| LogP | 1.7877 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.03032 |
| Heavy Atoms | 16 |
| Complexity | 481.87296 |
Chemical Identifiers
| CAS Number | 54255-33-3 |
|---|---|
| SMILES | COC(=O)/C=C\1/C(=O)NC2=CC=CC=C2S1 |
Product Overview
methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate (CAS 54255-33-3), with molecular formula C11H9NO3S and molecular weight 235.03 g/mol. IUPAC: methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate.
Chemical Property Profile of methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
Property Insights of methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
The XLogP value of 1.7877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)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 (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate?
The CAS number of methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate is 54255-33-3.
What is the molecular formula of methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate?
The molecular formula of methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate is C11H9NO3S.
What is the molecular weight of methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate?
The molecular weight of methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate is 235.03 g/mol.
Where can I buy methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate?
You can request a quote for methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.