2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one
TL;DR: 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one (CAS 5955-00-0) is a chemical compound with molecular formula C19H24N2O4S and molecular weight 376.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-(azepan-1-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one
Also Known As: BIM-0038313.P001, 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one, (5Z)-2-(azepan-1-yl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one, (5Z)-2-(azepan-1-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one
| Molecular Formula | C19H24N2O4S |
|---|---|
| Molecular Weight | 376.15 g/mol |
| LogP | 3.5587 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.1457 |
| Heavy Atoms | 26 |
| Complexity | 712.0498 |
Chemical Identifiers
| CAS Number | 5955-00-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)N=C(S2)N3CCCCCC3 |
Product Overview
2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one (CAS 5955-00-0), with molecular formula C19H24N2O4S and molecular weight 376.15 g/mol. IUPAC: (5Z)-2-(azepan-1-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one.
Chemical Property Profile of 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one
Property Insights of 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one
The XLogP value of 3.5587 indicates that 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one. Following Lipinski's Rule of Five, 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one has 0 hydrogen bond donor(s) and 6 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-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one?
The CAS number of 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one is 5955-00-0.
What is the molecular formula of 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one?
The molecular formula of 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one is C19H24N2O4S.
What is the molecular weight of 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one?
The molecular weight of 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one is 376.15 g/mol.
Where can I buy 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one?
You can request a quote for 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-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 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-azepanyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazol-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.