![ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate structure](/static/products/3853/385393-79-3.webp)
ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate
TL;DR: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate (CAS 385393-79-3) is a chemical compound with molecular formula C28H31N3O6S and molecular weight 537.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate
Also Known As: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4-oxo-4H-chromene-2-carboxylate, 3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxochromen-7-olate, 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester, 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazino]methyl]-4-keto-chromene-2-carboxylic acid ethyl ester
| Molecular Formula | C28H31N3O6S |
|---|---|
| Molecular Weight | 537.19 g/mol |
| LogP | 3.6243 |
| Topological Polar Surface Area | 116.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 537.19336 |
| Heavy Atoms | 38 |
| Complexity | 1504.4099 |
Chemical Identifiers
| CAS Number | 385393-79-3 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN3CCN(CC3)CCO)OC(=C(C2=O)C4=NC5=CC=CC=C5S4)C(=O)OCC |
Product Overview
ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate (CAS 385393-79-3), with molecular formula C28H31N3O6S and molecular weight 537.19 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate.
Chemical Property Profile of ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate
Property Insights of ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate
The XLogP value of 3.6243 indicates that ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate?
The CAS number of ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate is 385393-79-3.
What is the molecular formula of ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate?
The molecular formula of ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate is C28H31N3O6S.
What is the molecular weight of ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate?
The molecular weight of ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate is 537.19 g/mol.
Where can I buy ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate?
You can request a quote for ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.