![ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate structure](/static/products/4337/433703-07-2.webp)
ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate
TL;DR: ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate (CAS 433703-07-2) is a chemical compound with molecular formula C26H26N2O5S and molecular weight 478.16 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-4-oxo-8-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate
Also Known As: ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate, 3-(1,3-benzothiazol-2-yl)-2-ethoxycarbonyl-6-ethyl-4-oxo-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-7-olate, ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(1-pyrrolidinylmethyl)-4H-chromene-2-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate
| Molecular Formula | C26H26N2O5S |
|---|---|
| Molecular Weight | 478.16 g/mol |
| LogP | 5.1102 |
| Topological Polar Surface Area | 92.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.15625 |
| Heavy Atoms | 34 |
| Complexity | 1416.3684 |
Chemical Identifiers
| CAS Number | 433703-07-2 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN3CCCC3)OC(=C(C2=O)C4=NC5=CC=CC=C5S4)C(=O)OCC |
Product Overview
ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate (CAS 433703-07-2), with molecular formula C26H26N2O5S and molecular weight 478.16 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)chromene-2-carboxylate.
Chemical Property Profile of ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate
Property Insights of ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate
The XLogP value of 5.1102 indicates that ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-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-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-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-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate?
The CAS number of ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate is 433703-07-2.
What is the molecular formula of ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate?
The molecular formula of ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate is C26H26N2O5S.
What is the molecular weight of ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate?
The molecular weight of ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate is 478.16 g/mol.
Where can I buy ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate?
You can request a quote for ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-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-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(benzo[d]thiazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-8-(pyrrolidin-1-ylmethyl)-4H-chromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.