3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one
TL;DR: 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one (CAS 858751-15-2) is a chemical compound with molecular formula C31H29NO5 and molecular weight 495.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-7-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethoxy]-4,8-dimethylchromen-2-one
Also Known As: 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one, 3-benzyl-7-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethoxy]-4,8-dimethylchromen-2-one, 3-benzyl-7-[2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy]-4,8-dimethyl-2H-chromen-2-one, 3-benzyl-7-[2-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-oxo-ethoxy]-4,8-dimethyl-chromen-2-one
| Molecular Formula | C31H29NO5 |
|---|---|
| Molecular Weight | 495.20 g/mol |
| LogP | 6.07106 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 495.20456 |
| Heavy Atoms | 37 |
| Complexity | 1709.8002 |
Chemical Identifiers
| CAS Number | 858751-15-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)C3=C(N(C4=C3C=C(C=C4)OC)C)C)CC5=CC=CC=C5 |
Product Overview
3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one (CAS 858751-15-2), with molecular formula C31H29NO5 and molecular weight 495.20 g/mol. IUPAC: 3-benzyl-7-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethoxy]-4,8-dimethylchromen-2-one.
Chemical Property Profile of 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one
Property Insights of 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one
The XLogP value of 6.07106 indicates that 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one?
The CAS number of 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one is 858751-15-2.
What is the molecular formula of 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one?
The molecular formula of 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one is C31H29NO5.
What is the molecular weight of 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one?
The molecular weight of 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one is 495.20 g/mol.
Where can I buy 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one?
You can request a quote for 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-7-(2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethoxy)-4,8-dimethyl-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.