5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one
TL;DR: 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one (CAS 444938-08-3) is a chemical compound with molecular formula C18H13Br2NO3S and molecular weight 480.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one
Also Known As: 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one, (5Z)-5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one, (5Z)-5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one, 5-[(5,6-dibromo-2-hydroxy-3-methoxyphenyl)methylene]-2-(4-methylphenyl)-1,3-th iazolin-4-one, 5-[(Z)-1-(2,3-DIBROMO-6-HYDROXY-5-METHOXYPHENYL)METHYLIDENE]-2-(4-METHYLPHENYL)-1,3-THIAZOL-4-ONE
| Molecular Formula | C18H13Br2NO3S |
|---|---|
| Molecular Weight | 480.90 g/mol |
| LogP | 5.29532 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.8983 |
| Heavy Atoms | 25 |
| Complexity | 920.9087 |
Chemical Identifiers
| CAS Number | 444938-08-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC(=O)/C(=C/C3=C(C(=CC(=C3Br)Br)OC)O)/S2 |
Product Overview
5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one (CAS 444938-08-3), with molecular formula C18H13Br2NO3S and molecular weight 480.90 g/mol. IUPAC: (5Z)-5-[(2,3-dibromo-6-hydroxy-5-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-thiazol-4-one.
Chemical Property Profile of 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one
Property Insights of 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one
The XLogP value of 5.29532 indicates that 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.89 Ų, 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one has 1 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 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one?
The CAS number of 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one is 444938-08-3.
What is the molecular formula of 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one?
The molecular formula of 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one is C18H13Br2NO3S.
What is the molecular weight of 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one?
The molecular weight of 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one is 480.90 g/mol.
Where can I buy 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one?
You can request a quote for 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,3-dibromo-6-hydroxy-5-methoxybenzylidene)-2-(4-methylphenyl)-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.