3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
TL;DR: 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester (CAS 384375-46-6) is a chemical compound with molecular formula C28H30N2O5S and molecular weight 506.19 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-[(2-methylpiperidin-1-yl)methyl]-4-oxochromene-2-carboxylate
Also Known As: 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester, ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4-oxochromene-2-carboxylate, ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-8-((2-methylpiperidin-1-yl)methyl)-4-oxo-4H-chromene-2-carboxylate, ethyl 3-benzothiazol-2-yl-6-ethyl-7-hydroxy-8-[(2-methylpiperidyl)methyl]-4-ox ochromene-2-carboxylate
| Molecular Formula | C28H30N2O5S |
|---|---|
| Molecular Weight | 506.19 g/mol |
| LogP | 5.8888 |
| Topological Polar Surface Area | 92.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.18753 |
| Heavy Atoms | 36 |
| Complexity | 1472.6271 |
Chemical Identifiers
| CAS Number | 384375-46-6 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN3CCCCC3C)OC(=C(C2=O)C4=NC5=CC=CC=C5S4)C(=O)OCC |
Product Overview
3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester (CAS 384375-46-6), with molecular formula C28H30N2O5S and molecular weight 506.19 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(2-methylpiperidin-1-yl)methyl]-4-oxochromene-2-carboxylate.
Chemical Property Profile of 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
Property Insights of 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
The XLogP value of 5.8888 indicates that 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester 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 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester 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 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester?
The CAS number of 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester is 384375-46-6.
What is the molecular formula of 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester?
The molecular formula of 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester is C28H30N2O5S.
What is the molecular weight of 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester?
The molecular weight of 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester is 506.19 g/mol.
Where can I buy 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester?
You can request a quote for 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazol-2-yl-6-ethyl-7-hydroxy-8-(2-methyl-piperidin-1-ylmethyl)-4-oxo-4H-chromene-2-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.