3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate
TL;DR: 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate (CAS 587012-48-4) is a chemical compound with molecular formula C26H16BrNO6S and molecular weight 548.99 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)-7-(2-bromobenzoyl)oxy-4-oxochromene-2-carboxylate
Also Known As: 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate, ethyl 3-(1,3-benzothiazol-2-yl)-7-(2-bromobenzoyl)oxy-4-oxochromene-2-carboxylate, ethyl 3-(benzo[d]thiazol-2-yl)-7-((2-bromobenzoyl)oxy)-4-oxo-4H-chromene-2-carboxylate, Ethyl 3-benzothiazol-2-yl-7-(2-bromobenzoyl)oxy-4-oxo-chromene-2-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-7-{[(2-bromophenyl)carbonyl]oxy}-4-oxo-4H-chromene-2-carboxylate
| Molecular Formula | C26H16BrNO6S |
|---|---|
| Molecular Weight | 548.99 g/mol |
| LogP | 6.2281 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.98816 |
| Heavy Atoms | 35 |
| Complexity | 1639.1649 |
Chemical Identifiers
| CAS Number | 587012-48-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=CC=C3Br)C4=NC5=CC=CC=C5S4 |
Product Overview
3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate (CAS 587012-48-4), with molecular formula C26H16BrNO6S and molecular weight 548.99 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-7-(2-bromobenzoyl)oxy-4-oxochromene-2-carboxylate.
Chemical Property Profile of 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate
Property Insights of 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate
The XLogP value of 6.2281 indicates that 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate. Following Lipinski's Rule of Five, 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate 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 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate?
The CAS number of 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate is 587012-48-4.
What is the molecular formula of 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate?
The molecular formula of 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate is C26H16BrNO6S.
What is the molecular weight of 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate?
The molecular weight of 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate is 548.99 g/mol.
Where can I buy 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate?
You can request a quote for 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate 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-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazol-2-yl-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.