3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate
TL;DR: 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate (CAS 610758-97-9) is a chemical compound with molecular formula C27H21BrO8 and molecular weight 552.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(2-bromobenzoyl)oxy-3-(3,4-dimethoxyphenyl)-4-oxochromene-2-carboxylate
Also Known As: 3-(3,4-dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate, ethyl 7-((2-bromobenzoyl)oxy)-3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxylate, Ethyl 7-(2-bromobenzoyl)oxy-3-(3,4-dimethoxyphenyl)-4-oxo-chromene-2-carboxylate, ethyl 7-(2-bromobenzoyl)oxy-3-(3,4-dimethoxyphenyl)-4-oxochromene-2-carboxylate, ethyl 7-{[(2-bromophenyl)carbonyl]oxy}-3-(3,4-dimethoxyphenyl)-4-oxo-4H-chromene-2-carboxylate
| Molecular Formula | C27H21BrO8 |
|---|---|
| Molecular Weight | 552.04 g/mol |
| LogP | 5.6356 |
| Topological Polar Surface Area | 101.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 552.042 |
| Heavy Atoms | 36 |
| Complexity | 1522.4855 |
Chemical Identifiers
| CAS Number | 610758-97-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC=CC=C3Br)C4=CC(=C(C=C4)OC)OC |
Product Overview
3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate (CAS 610758-97-9), with molecular formula C27H21BrO8 and molecular weight 552.04 g/mol. IUPAC: ethyl 7-(2-bromobenzoyl)oxy-3-(3,4-dimethoxyphenyl)-4-oxochromene-2-carboxylate.
Chemical Property Profile of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate
Property Insights of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate
The XLogP value of 5.6356 indicates that 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxyphenyl)-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-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate?
The CAS number of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate is 610758-97-9.
What is the molecular formula of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate?
The molecular formula of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate is C27H21BrO8.
What is the molecular weight of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate?
The molecular weight of 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate is 552.04 g/mol.
Where can I buy 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate?
You can request a quote for 3-(3,4-Dimethoxyphenyl)-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-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxyphenyl)-2-(ethoxycarbonyl)-4-oxochromen-7-yl 2-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.