2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
TL;DR: 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione (CAS 80641-49-2) is a chemical compound with molecular formula C15H11NO2 and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
Also Known As: 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione, 2-(2-methyl-1H-indol-3-yl)-p-benzoquinone, J2.604.159G, 2-(2-Methyl-1H-indole-3-yl)-1,4-benzoquinone, 2,5-Cyclohexadiene-1,4-dione,2-(2-methyl-1H-indol-3-yl)-
| Molecular Formula | C15H11NO2 |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.07898 |
| Heavy Atoms | 18 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 80641-49-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C3=CC(=O)C=CC3=O |
| InChIKey | SYIXSZIGHISTNJ-UHFFFAOYSA-N |
Product Overview
2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione (CAS 80641-49-2), with molecular formula C15H11NO2 and molecular weight 237.08 g/mol. IUPAC: 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
Property Insights of 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 49.9 Ų, 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione is 80641-49-2.
What is the molecular formula of 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione is C15H11NO2.
What is the molecular weight of 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione is 237.08 g/mol.
Where can I buy 2-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-(2-methyl-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-(2-methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methyl-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.