![(2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide structure](/static/products/861/861650-94-4.png)
(2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide
TL;DR: (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide (CAS 861650-94-4) is a chemical compound with molecular formula C26H30N2O3S2 and molecular weight 482.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
Also Known As: (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide, (Z)-2-methyl-N-(5-(4-(octyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide, 2-methyl-N-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide, 2-methyl-N-[5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
| Molecular Formula | C26H30N2O3S2 |
|---|---|
| Molecular Weight | 482.17 g/mol |
| LogP | 6.28052 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 482.1698 |
| Heavy Atoms | 33 |
| Complexity | 1018.45197 |
Chemical Identifiers
| CAS Number | 861650-94-4 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3C |
Product Overview
(2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide (CAS 861650-94-4), with molecular formula C26H30N2O3S2 and molecular weight 482.17 g/mol. IUPAC: 2-methyl-N-[(5Z)-5-[(4-octoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide.
Chemical Property Profile of (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide
Property Insights of (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide
The XLogP value of 6.28052 indicates that (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide?
The CAS number of (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide is 861650-94-4.
What is the molecular formula of (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide?
The molecular formula of (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide is C26H30N2O3S2.
What is the molecular weight of (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide?
The molecular weight of (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide is 482.17 g/mol.
Where can I buy (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide?
You can request a quote for (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (2-methylphenyl)-N-{5-[(4-octyloxyphenyl)methylene]-4-oxo-2-thioxo(1,3-thiazol idin-3-yl)}carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.