![3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate structure](/static/products/3843/384360-59-2.webp)
3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate
TL;DR: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate (CAS 384360-59-2) is a chemical compound with molecular formula C26H29N3O3S and molecular weight 463.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-6-propylchromen-4-one
Also Known As: 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate, 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-6-propylchromen-4-one, 3-(benzo[d]thiazol-2-yl)-7-hydroxy-2-methyl-8-((4-methylpiperazin-1-yl)methyl)-6-propyl-4H-chromen-4-one, 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[(4-methyl-1-piperazinyl)methyl]-6-propyl-4H-chromen-4-one, 3-benzothiazol-2-yl-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-6-propyl-chromen-4-one
| Molecular Formula | C26H29N3O3S |
|---|---|
| Molecular Weight | 463.19 g/mol |
| LogP | 4.78362 |
| Topological Polar Surface Area | 69.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.19296 |
| Heavy Atoms | 33 |
| Complexity | 1350.3129 |
Chemical Identifiers
| CAS Number | 384360-59-2 |
|---|---|
| SMILES | CCCC1=CC2=C(C(=C1O)CN3CCN(CC3)C)OC(=C(C2=O)C4=NC5=CC=CC=C5S4)C |
Product Overview
3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate (CAS 384360-59-2), with molecular formula C26H29N3O3S and molecular weight 463.19 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]-6-propylchromen-4-one.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate
Property Insights of 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate
The XLogP value of 4.78362 indicates that 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate has 1 hydrogen bond donor(s) and 7 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 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate?
The CAS number of 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate is 384360-59-2.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate is C26H29N3O3S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate is 463.19 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-2-methyl-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-6-propylchromen-7-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.