1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate
TL;DR: 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate (CAS 483987-38-8) is a chemical compound with molecular formula C31H27NO5 and molecular weight 493.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[4-[[1-(1H-indol-3-yl)-3,4-dioxonaphthalen-2-yl]methyl]phenoxy]acetate
Also Known As: 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate, Acetic acid, (4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)-, 1,1-dimethylethyl ester, Acetic acid, 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)-, 1,1-dimethylethyl ester, Tert-butyl 2-[4-[[1-(1H-indol-3-yl)-3,4-dioxo-naphthalen-2-yl]methyl]phenoxy]acetate, RefChem:151451
| Molecular Formula | C31H27NO5 |
|---|---|
| Molecular Weight | 493.19 g/mol |
| LogP | 5.6984 |
| Topological Polar Surface Area | 85.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.18893 |
| Heavy Atoms | 37 |
| Complexity | 1550.5238 |
Chemical Identifiers
| CAS Number | 483987-38-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)COC1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C(=O)C2=O)C4=CNC5=CC=CC=C54 |
Product Overview
1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate (CAS 483987-38-8), with molecular formula C31H27NO5 and molecular weight 493.19 g/mol. IUPAC: tert-butyl 2-[4-[[1-(1H-indol-3-yl)-3,4-dioxonaphthalen-2-yl]methyl]phenoxy]acetate.
Chemical Property Profile of 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate
Property Insights of 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate
The XLogP value of 5.6984 indicates that 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate. Following Lipinski's Rule of Five, 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate has 1 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 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate?
The CAS number of 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate is 483987-38-8.
What is the molecular formula of 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate?
The molecular formula of 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate is C31H27NO5.
What is the molecular weight of 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate?
The molecular weight of 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate is 493.19 g/mol.
Where can I buy 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate?
You can request a quote for 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl 2-(4-((3,4-dihydro-1-(1H-indol-3-yl)-3,4-dioxo-2-naphthalenyl)methyl)phenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.