4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone
TL;DR: 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone (CAS 840474-95-5) is a chemical compound with molecular formula C20H15NO4S and molecular weight 365.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one
Also Known As: Quinol 1h, 1-BSI-4-CDO, SID:134224436, 1H-Indole, 2-(1-hydroxy-4-oxo-2,5-cyclohexadien-1-yl)-1-(phenylsulfonyl)-, 2,5-Cyclohexadien-1-one, 4-hydroxy-4-(1-(phenylsulfonyl)-1H-indol-2-yl)-
| Molecular Formula | C20H15NO4S |
|---|---|
| Molecular Weight | 365.07 g/mol |
| LogP | 2.761 |
| Topological Polar Surface Area | 76.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.07217 |
| Heavy Atoms | 26 |
| Complexity | 1155.0013 |
Chemical Identifiers
| CAS Number | 840474-95-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C4(C=CC(=O)C=C4)O |
Product Overview
4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone (CAS 840474-95-5), with molecular formula C20H15NO4S and molecular weight 365.07 g/mol. IUPAC: 4-[1-(benzenesulfonyl)indol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one.
Chemical Property Profile of 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone
Property Insights of 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone
The XLogP value of 2.761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone. The TPSA of 76.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone. Following Lipinski's Rule of Five, 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone has 1 hydrogen bond donor(s) and 4 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 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone?
The CAS number of 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone is 840474-95-5.
What is the molecular formula of 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone?
The molecular formula of 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone is C20H15NO4S.
What is the molecular weight of 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone?
The molecular weight of 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone is 365.07 g/mol.
Where can I buy 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone?
You can request a quote for 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-benzenesulfonyl-1H-indol-2-yl)-4-hydroxycyclohexa-2,5-dienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.