![ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate structure](/static/products/488/488794-61-2.png)
ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
TL;DR: ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate (CAS 488794-61-2) is a chemical compound with molecular formula C29H32N2O5S and molecular weight 520.20 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)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate
Also Known As: ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate, ethyl 3-(benzo[d]thiazol-2-yl)-8-((3,3-dimethylpiperidin-1-yl)methyl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate, ethyl 3-benzothiazol-2-yl-8-[(3,3-dimethylpiperidyl)methyl]-6-ethyl-7-hydroxy- 4-oxochromene-2-carboxylate
| Molecular Formula | C29H32N2O5S |
|---|---|
| Molecular Weight | 520.20 g/mol |
| LogP | 6.1364 |
| Topological Polar Surface Area | 92.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.2032 |
| Heavy Atoms | 37 |
| Complexity | 1518.7223 |
Chemical Identifiers
| CAS Number | 488794-61-2 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN3CCCC(C3)(C)C)OC(=C(C2=O)C4=NC5=CC=CC=C5S4)C(=O)OCC |
Product Overview
ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate (CAS 488794-61-2), with molecular formula C29H32N2O5S and molecular weight 520.20 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
Property Insights of ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate
The XLogP value of 6.1364 indicates that ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate has 1 hydrogen bond donor(s) and 8 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)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
The CAS number of ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is 488794-61-2.
What is the molecular formula of ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
The molecular formula of ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is C29H32N2O5S.
What is the molecular weight of ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
The molecular weight of ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate is 520.20 g/mol.
Where can I buy ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
You can request a quote for ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-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)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(1,3-benzothiazol-2-yl)-8-[(3,3-dimethylpiperidin-1-yl)methyl]-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.