![2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one structure](/static/products/4529/452949-78-9.webp)
2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
TL;DR: 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one (CAS 452949-78-9) is a chemical compound with molecular formula C21H15NO2S and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
Also Known As: 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one, 2-[(3-phenoxyphenyl)methylene]-4H-1,4-benzothiazin-3-one, (Z)-2-(3-phenoxybenzylidene)-2H-benzo[b][1,4]thiazin-3(4H)-one, 2-[(3-Phenoxyphenyl)methylene]-2H-1,4-benzothiazin-3(4H)-one, 2-[(3-phenoxyphenyl)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one
| Molecular Formula | C21H15NO2S |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 5.5642 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.08234 |
| Heavy Atoms | 25 |
| Complexity | 950.8746 |
Chemical Identifiers
| CAS Number | 452949-78-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)C=C3C(=O)NC4=CC=CC=C4S3 |
Product Overview
2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one (CAS 452949-78-9), with molecular formula C21H15NO2S and molecular weight 345.08 g/mol. IUPAC: 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
Property Insights of 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
The XLogP value of 5.5642 indicates that 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The CAS number of 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one is 452949-78-9.
What is the molecular formula of 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The molecular formula of 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one is C21H15NO2S.
What is the molecular weight of 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The molecular weight of 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one is 345.08 g/mol.
Where can I buy 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
You can request a quote for 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-phenoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.