3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one
TL;DR: 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one (CAS 126433-42-9) is a chemical compound with molecular formula C16H9IN2O2 and molecular weight 387.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxy-5-iodo-1H-indol-3-yl)indol-3-one
Also Known As: 5'-Iodoindirubin, 5/'-Iodoindirubin, NCI60_040620, 2-(2-hydroxy-5-iodo-1H-indol-3-yl)indol-3-one, (3Z)-5-iodo-3-(3-oxoindolin-2-ylidene)indolin-2-one
| Molecular Formula | C16H9IN2O2 |
|---|---|
| Molecular Weight | 387.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 387.9709 |
| Heavy Atoms | 21 |
| Complexity | 481.0 |
Chemical Identifiers
| CAS Number | 126433-42-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)I)O |
| InChIKey | JCJGSZCPPTXTGO-UHFFFAOYSA-N |
Product Overview
3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one (CAS 126433-42-9), with molecular formula C16H9IN2O2 and molecular weight 387.97 g/mol. IUPAC: 2-(2-hydroxy-5-iodo-1H-indol-3-yl)indol-3-one.
Chemical Property Profile of 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one
Property Insights of 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one
The XLogP value of 3.4 indicates that 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one. Following Lipinski's Rule of Five, 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one has 2 hydrogen bond donor(s) and 3 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 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one?
The CAS number of 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one is 126433-42-9.
What is the molecular formula of 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one?
The molecular formula of 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one is C16H9IN2O2.
What is the molecular weight of 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one?
The molecular weight of 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one is 387.97 g/mol.
Where can I buy 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one?
You can request a quote for 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-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 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-5-iodo-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.