(E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate
TL;DR: (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate (CAS 384802-39-5) is a chemical compound with molecular formula C27H25N3O4S2 and molecular weight 519.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[2-[4-(3-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate
Also Known As: (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate, [4-[(E)-[2-[4-(3-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate, 4-[(E)-{2-[4-(3-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]phenyl benzenesulfonate
| Molecular Formula | C27H25N3O4S2 |
|---|---|
| Molecular Weight | 519.13 g/mol |
| LogP | 4.55522 |
| Topological Polar Surface Area | 79.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 519.12866 |
| Heavy Atoms | 36 |
| Complexity | 1427.3552 |
Chemical Identifiers
| CAS Number | 384802-39-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CCN(CC2)C3=NC(=O)/C(=C\C4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5)/S3 |
Product Overview
(E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate (CAS 384802-39-5), with molecular formula C27H25N3O4S2 and molecular weight 519.13 g/mol. IUPAC: [4-[(E)-[2-[4-(3-methylphenyl)piperazin-1-yl]-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate.
Chemical Property Profile of (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate
Property Insights of (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate
The XLogP value of 4.55522 indicates that (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate. Following Lipinski's Rule of Five, (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
The CAS number of (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is 384802-39-5.
What is the molecular formula of (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
The molecular formula of (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is C27H25N3O4S2.
What is the molecular weight of (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
The molecular weight of (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate is 519.13 g/mol.
Where can I buy (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
You can request a quote for (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-oxo-2-(4-(m-tolyl)piperazin-1-yl)thiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.