2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
TL;DR: 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione (CAS 198992-52-8) is a chemical compound with molecular formula C29H24N2O4 and molecular weight 464.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-yl)-3,6-dimethoxy-5-[5-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Also Known As: 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione, 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[5-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione, 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-[5-[(1E)-3-methyl-1,3-butadienyl]-1H-indol-3-yl]-1,4-benzoquinone, 2-(1H-indol-3-yl)-3,6-dimethoxy-5-{5-[(1E)-3-methylbuta-1,3-dien-1-yl]-1H-indol-3-yl}cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C29H24N2O4 |
|---|---|
| Molecular Weight | 464.17 g/mol |
| LogP | 5.8055 |
| Topological Polar Surface Area | 84.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.1736 |
| Heavy Atoms | 35 |
| Complexity | 1624.6509 |
Chemical Identifiers
| CAS Number | 198992-52-8 |
|---|---|
| SMILES | CC(=C)/C=C/C1=CC2=C(C=C1)NC=C2C3=C(C(=O)C(=C(C3=O)OC)C4=CNC5=CC=CC=C54)OC |
Product Overview
2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione (CAS 198992-52-8), with molecular formula C29H24N2O4 and molecular weight 464.17 g/mol. IUPAC: 2-(1H-indol-3-yl)-3,6-dimethoxy-5-[5-[(1E)-3-methylbuta-1,3-dienyl]-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
Property Insights of 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
The XLogP value of 5.8055 indicates that 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione is 198992-52-8.
What is the molecular formula of 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione is C29H24N2O4.
What is the molecular weight of 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione is 464.17 g/mol.
Where can I buy 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Indol-3-yl)-3,6-dimethoxy-5-(5-((1E)-3-methylbuta-1,3-dienyl)-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.