ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate
TL;DR: ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate (CAS 858758-87-9) is a chemical compound with molecular formula C29H31NO7 and molecular weight 505.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[7-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoate
Also Known As: ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate, ethyl 3-[7-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoate, ethyl 3-{7-[2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxo-2H-chromen-3-yl}propanoate
| Molecular Formula | C29H31NO7 |
|---|---|
| Molecular Weight | 505.21 g/mol |
| LogP | 4.97596 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 505.21005 |
| Heavy Atoms | 37 |
| Complexity | 1575.4536 |
Chemical Identifiers
| CAS Number | 858758-87-9 |
|---|---|
| SMILES | CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)OCC(=O)C3=C(N(C4=C3C=C(C=C4)OC)C)C)C)OC1=O)C |
Product Overview
ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate (CAS 858758-87-9), with molecular formula C29H31NO7 and molecular weight 505.21 g/mol. IUPAC: ethyl 3-[7-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethoxy]-4,8-dimethyl-2-oxochromen-3-yl]propanoate.
Chemical Property Profile of ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate
Property Insights of ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate
The XLogP value of 4.97596 indicates that ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate. Following Lipinski's Rule of Five, ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate has 0 hydrogen bond donor(s) and 7 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-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate?
The CAS number of ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate is 858758-87-9.
What is the molecular formula of ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate?
The molecular formula of ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate is C29H31NO7.
What is the molecular weight of ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate?
The molecular weight of ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate is 505.21 g/mol.
Where can I buy ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate?
You can request a quote for ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.