![ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate structure](/static/products/874/874456-72-1.png)
ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate
TL;DR: ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate (CAS 874456-72-1) is a chemical compound with molecular formula C29H22N2O6S and molecular weight 526.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-benzothiazole-6-carboxylate
Also Known As: ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate, ethyl 2-(1-(4-ethoxyphenyl)-3,9-dioxochromeno[2,3-c]pyrrol-2(1H,3H,9H)-yl)benzo[d]thiazole-6-carboxylate, ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-benzothiazole-6-carboxylate, ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxochromeno[2,3-c]3-pyrrolin-2-yl]benzothiaz ole-6-carboxylate
| Molecular Formula | C29H22N2O6S |
|---|---|
| Molecular Weight | 526.12 g/mol |
| LogP | 5.7279 |
| Topological Polar Surface Area | 98.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.1199 |
| Heavy Atoms | 38 |
| Complexity | 1772.3167 |
Chemical Identifiers
| CAS Number | 874456-72-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NC5=C(S4)C=C(C=C5)C(=O)OCC)OC6=CC=CC=C6C3=O |
Product Overview
ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate (CAS 874456-72-1), with molecular formula C29H22N2O6S and molecular weight 526.12 g/mol. IUPAC: ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-2-yl]-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate
Property Insights of ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate
The XLogP value of 5.7279 indicates that ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate has 0 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 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate?
The CAS number of ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate is 874456-72-1.
What is the molecular formula of ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate?
The molecular formula of ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate is C29H22N2O6S.
What is the molecular weight of ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate?
The molecular weight of ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate is 526.12 g/mol.
Where can I buy ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate?
You can request a quote for ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[1-(4-ethoxyphenyl)-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.