2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine
TL;DR: 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine (CAS 42583-66-4) is a chemical compound with molecular formula C21H27ClN2OS and molecular weight 390.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-acetyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethylazanium chloride
Also Known As: Sid 180278, 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine, 2-Acetyl-4-(3-(dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine hydrochloride, 3-(2-acetyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethylazanium chloride, 3-(2-acetyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethylazanium;chloride
| Molecular Formula | C21H27ClN2OS |
|---|---|
| Molecular Weight | 390.15 g/mol |
| LogP | -0.16 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.15326 |
| Heavy Atoms | 26 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 42583-66-4 |
|---|---|
| SMILES | CC(=O)C1C(N(C2=CC=CC=C2S1)CCC[NH+](C)C)C3=CC=CC=C3.[Cl-] |
| InChIKey | FEXADQLJIYBFNE-UHFFFAOYSA-N |
Product Overview
2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine (CAS 42583-66-4), with molecular formula C21H27ClN2OS and molecular weight 390.15 g/mol. IUPAC: 3-(2-acetyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethylazanium chloride.
Chemical Property Profile of 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine
Property Insights of 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine
The XLogP value of -0.16 indicates that 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine 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 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine?
The CAS number of 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine is 42583-66-4.
What is the molecular formula of 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine?
The molecular formula of 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine is C21H27ClN2OS.
What is the molecular weight of 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine?
The molecular weight of 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine is 390.15 g/mol.
Where can I buy 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine?
You can request a quote for 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-4-((3-dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.