3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate
TL;DR: 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate (CAS 610759-50-7) is a chemical compound with molecular formula C28H21NO7S and molecular weight 515.10 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-(3-methoxybenzoyl)oxy-8-methyl-4-oxochromene-2-carboxylate
Also Known As: 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate, Ethyl 3-benzothiazol-2-yl-7-(3-methoxybenzoyl)oxy-8-methyl-4-oxo-chromene-2-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-7-(3-methoxybenzoyl)oxy-8-methyl-4-oxochromene-2-carboxylate, ethyl 3-(1,3-benzothiazol-2-yl)-7-{[(3-methoxyphenyl)carbonyl]oxy}-8-methyl-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(benzo[d]thiazol-2-yl)-7-((3-methoxybenzoyl)oxy)-8-methyl-4-oxo-4H-chromene-2-carboxylate
| Molecular Formula | C28H21NO7S |
|---|---|
| Molecular Weight | 515.10 g/mol |
| LogP | 5.78262 |
| Topological Polar Surface Area | 104.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.1039 |
| Heavy Atoms | 37 |
| Complexity | 1701.4923 |
Chemical Identifiers
| CAS Number | 610759-50-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)OC(=O)C3=CC(=CC=C3)OC)C)C4=NC5=CC=CC=C5S4 |
Product Overview
3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate (CAS 610759-50-7), with molecular formula C28H21NO7S and molecular weight 515.10 g/mol. IUPAC: ethyl 3-(1,3-benzothiazol-2-yl)-7-(3-methoxybenzoyl)oxy-8-methyl-4-oxochromene-2-carboxylate.
Chemical Property Profile of 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate
Property Insights of 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate
The XLogP value of 5.78262 indicates that 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate. Following Lipinski's Rule of Five, 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate has 0 hydrogen bond donor(s) and 9 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)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate?
The CAS number of 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate is 610759-50-7.
What is the molecular formula of 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate?
The molecular formula of 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate is C28H21NO7S.
What is the molecular weight of 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate?
The molecular weight of 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate is 515.10 g/mol.
Where can I buy 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate?
You can request a quote for 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate 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)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzothiazol-2-yl-2-(ethoxycarbonyl)-8-methyl-4-oxochromen-7-yl 3-methoxyben zoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.