Isoindigotin
TL;DR: Isoindigotin (CAS 180479-95-2) is a chemical compound with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxy-1H-indol-3-yl)indol-2-one
Also Known As: Isoindigotin, Isoindigo, Indin, trans-Isoindigo, [3,3'-Biindolinylidene]-2,2'-dione
| Molecular Formula | C16H10N2O2 |
|---|---|
| Molecular Weight | 262.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.07422 |
| Heavy Atoms | 20 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 180479-95-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)O)C3=C4C=CC=CC4=NC3=O |
| InChIKey | VBMISAYWIMDRCV-UHFFFAOYSA-N |
Product Overview
Isoindigotin (CAS 180479-95-2), with molecular formula C16H10N2O2 and molecular weight 262.07 g/mol. IUPAC: 3-(2-hydroxy-1H-indol-3-yl)indol-2-one.
Chemical Property Profile of Isoindigotin
Property Insights of Isoindigotin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoindigotin. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoindigotin. Following Lipinski's Rule of Five, Isoindigotin has 2 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 Isoindigotin?
The CAS number of Isoindigotin is 180479-95-2.
What is the molecular formula of Isoindigotin?
The molecular formula of Isoindigotin is C16H10N2O2.
What is the molecular weight of Isoindigotin?
The molecular weight of Isoindigotin is 262.07 g/mol.
Where can I buy Isoindigotin?
You can request a quote for Isoindigotin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoindigotin?
Yes, KEHONG BIO provides custom synthesis services for Isoindigotin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.