(2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one
TL;DR: (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one (CAS 338416-95-8) is a chemical compound with molecular formula C11H11ClN2OS and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one
Also Known As: 4B-097, (2E)-7-chloro-2-[(dimethylamino)methylidene]-3,4-dihydro-2H-1,4-benzothiazin-3-one, (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one, 7-chloro-2-[(dimethylamino)methylene]-2H-1,4-benzothiazin-3(4H)-one, (2E)-7-chloro-2-(dimethylaminomethylene)-4H-1,4-benzothiazin-3-one
| Molecular Formula | C11H11ClN2OS |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 2.7872 |
| Topological Polar Surface Area | 32.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.02806 |
| Heavy Atoms | 16 |
| Complexity | 471.0524 |
Chemical Identifiers
| CAS Number | 338416-95-8 |
|---|---|
| SMILES | CN(C)/C=C/1\C(=O)NC2=C(S1)C=C(C=C2)Cl |
Product Overview
(2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one (CAS 338416-95-8), with molecular formula C11H11ClN2OS and molecular weight 254.03 g/mol. IUPAC: (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one
Property Insights of (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one
The XLogP value of 2.7872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one. With a topological polar surface area (TPSA) of 32.34 Ų, (2E)-7-chloro-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)-7-chloro-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)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one?
The CAS number of (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one is 338416-95-8.
What is the molecular formula of (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one?
The molecular formula of (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one is C11H11ClN2OS.
What is the molecular weight of (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one?
The molecular weight of (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one is 254.03 g/mol.
Where can I buy (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one?
You can request a quote for (2E)-7-chloro-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)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-7-chloro-2-(dimethylaminomethylidene)-4H-1,4-benzothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.