(2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one
TL;DR: (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one (CAS 338416-65-2) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one
Also Known As: 4B-057, (2E)-2-[(dimethylamino)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one, (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one, (2E)-2-(dimethylaminomethylene)-4H-1,4-benzothiazin-3-one, 2-[(dimethylamino)methylene]-2H-1,4-benzothiazin-3(4H)-one
| Molecular Formula | C11H12N2OS |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.1338 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.06703 |
| Heavy Atoms | 15 |
| Complexity | 426.351 |
Chemical Identifiers
| CAS Number | 338416-65-2 |
|---|---|
| SMILES | CN(C)/C=C/1\C(=O)NC2=CC=CC=C2S1 |
Product Overview
(2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one (CAS 338416-65-2), with molecular formula C11H12N2OS and molecular weight 220.07 g/mol. IUPAC: (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one
Property Insights of (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one
The XLogP value of 2.1338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one. With a topological polar surface area (TPSA) of 32.34 Ų, (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one has 1 hydrogen bond donor(s) and 3 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 (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one?
The CAS number of (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one is 338416-65-2.
What is the molecular formula of (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one?
The molecular formula of (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one is C11H12N2OS.
What is the molecular weight of (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one?
The molecular weight of (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one is 220.07 g/mol.
Where can I buy (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one?
You can request a quote for (2E)-2-(dimethylaminomethylidene)-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 (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.