![(2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one structure](/static/products/116/1164541-02-9.png)
(2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
TL;DR: (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one (CAS 1164541-02-9) is a chemical compound with molecular formula C26H22N2O3S and molecular weight 442.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
Also Known As: (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one, (2E)-6-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-2-(4-methoxybenzylidene)-2H-1,4-benzothiazin-3(4H)-one, (2E)-2-[(4-METHOXYPHENYL)METHYLIDENE]-6-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBONYL)-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-3-ONE, (2E)-6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one, (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-p-anisylidene-4H-1,4-benzothiazin-3-one
| Molecular Formula | C26H22N2O3S |
|---|---|
| Molecular Weight | 442.14 g/mol |
| LogP | 4.979 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 442.1351 |
| Heavy Atoms | 32 |
| Complexity | 1234.0743 |
Chemical Identifiers
| CAS Number | 1164541-02-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4 |
Product Overview
(2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one (CAS 1164541-02-9), with molecular formula C26H22N2O3S and molecular weight 442.14 g/mol. IUPAC: (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one.
Chemical Property Profile of (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
Property Insights of (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one
The XLogP value of 4.979 indicates that (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)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 58.64 Ų, (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one 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 (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The CAS number of (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one is 1164541-02-9.
What is the molecular formula of (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The molecular formula of (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one is C26H22N2O3S.
What is the molecular weight of (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
The molecular weight of (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one is 442.14 g/mol.
Where can I buy (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
You can request a quote for (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)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 (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.