1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one
TL;DR: 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one (CAS 54935-03-4) is a chemical compound with molecular formula C21H17NO9S2 and molecular weight 491.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[7-methyl-2-oxo-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfate
Also Known As: Sulisatin, Sulisatine, Sulisatina, Sulisatinum, Laxitex
| Molecular Formula | C21H17NO9S2 |
|---|---|
| Molecular Weight | 491.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.0345 |
| Heavy Atoms | 33 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 54935-03-4 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(C(=O)N2)(C3=CC=C(C=C3)OS(=O)(=O)O)C4=CC=C(C=C4)OS(=O)(=O)O |
| InChIKey | URNFTLVCQLRCMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one (CAS 54935-03-4), with molecular formula C21H17NO9S2 and molecular weight 491.03 g/mol. IUPAC: [4-[7-methyl-2-oxo-3-(4-sulfooxyphenyl)-1H-indol-3-yl]phenyl] hydrogen sulfate.
Chemical Property Profile of 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one
Property Insights of 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one. The TPSA of 173.0 Ų indicates high polarity, suggesting 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one has 3 hydrogen bond donor(s) and 9 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 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one?
The CAS number of 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one is 54935-03-4.
What is the molecular formula of 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one?
The molecular formula of 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one is C21H17NO9S2.
What is the molecular weight of 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one?
The molecular weight of 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one is 491.03 g/mol.
Where can I buy 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one?
You can request a quote for 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-7-methyl-3,3-bis(4-(sulfooxy)phenyl)-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.