methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
TL;DR: methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate (CAS 32723-06-1) is a chemical compound with molecular formula C11H8ClNO3S and molecular weight 268.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
Also Known As: methyl (2Z)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene), methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
| Molecular Formula | C11H8ClNO3S |
|---|---|
| Molecular Weight | 268.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.99133 |
| Heavy Atoms | 17 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 32723-06-1 |
|---|---|
| SMILES | COC(=O)C=C1C(=O)NC2=C(S1)C=CC(=C2)Cl |
| InChIKey | WTPZLJCHGMJGHC-UHFFFAOYSA-N |
Product Overview
methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate (CAS 32723-06-1), with molecular formula C11H8ClNO3S and molecular weight 268.99 g/mol. IUPAC: methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate.
Chemical Property Profile of methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
Property Insights of methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate. Following Lipinski's Rule of Five, methyl 2-(6-chloro-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 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate?
The CAS number of methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate is 32723-06-1.
What is the molecular formula of methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate?
The molecular formula of methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate is C11H8ClNO3S.
What is the molecular weight of methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate?
The molecular weight of methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate is 268.99 g/mol.
Where can I buy methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate?
You can request a quote for methyl 2-(6-chloro-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 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.