![2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one structure](/static/products/6812/6812-28-8.webp)
2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one
TL;DR: 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one (CAS 6812-28-8) is a chemical compound with molecular formula C34H30ClN3O2S and molecular weight 579.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one
Also Known As: 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one, 2-({4-[4-(4-Chlorophenyl)piperazine-1-carbonyl]phenyl}methylidene)-4-[(3-methylphenyl)methyl]-2H-1,4-benzothiazin-3(4H)-one
| Molecular Formula | C34H30ClN3O2S |
|---|---|
| Molecular Weight | 579.17 g/mol |
| LogP | 7.29082 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 579.17474 |
| Heavy Atoms | 41 |
| Complexity | 1610.0511 |
Chemical Identifiers
| CAS Number | 6812-28-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CN2C3=CC=CC=C3SC(=CC4=CC=C(C=C4)C(=O)N5CCN(CC5)C6=CC=C(C=C6)Cl)C2=O |
Product Overview
2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one (CAS 6812-28-8), with molecular formula C34H30ClN3O2S and molecular weight 579.17 g/mol. IUPAC: 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one.
Chemical Property Profile of 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one
Property Insights of 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one
The XLogP value of 7.29082 indicates that 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-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 43.86 Ų, 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one?
The CAS number of 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one is 6812-28-8.
What is the molecular formula of 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one?
The molecular formula of 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one is C34H30ClN3O2S.
What is the molecular weight of 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one?
The molecular weight of 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one is 579.17 g/mol.
Where can I buy 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one?
You can request a quote for 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-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-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methylidene]-4-[(3-methylphenyl)methyl]-1,4-benzothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.