靛红
TL;DR: 靛红 (CAS 91-56-5) is a chemical compound with molecular formula C8H5NO2 and molecular weight 147.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
靛红
1H-indole-2,3-dione
Also Known As: Isatin, 1H-Indole-2,3-dione, Indoline-2,3-dione, 2,3-Indolinedione, Isatine
| Molecular Formula | C8H5NO2 |
|---|---|
| Molecular Weight | 147.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.03203 |
| Heavy Atoms | 11 |
| Complexity | 212.0 |
| Melting Point | 203 |
| Vapor Pressure | 0.0000111 [mmHg] |
Chemical Identifiers
| CAS Number | 91-56-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=O)N2 |
| InChIKey | JXDYKVIHCLTXOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
靛红 (CAS 91-56-5), with molecular formula C8H5NO2 and molecular weight 147.03 g/mol. IUPAC: 1H-indole-2,3-dione.
Chemical Property Profile of 靛红
Property Insights of 靛红
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 靛红. With a topological polar surface area (TPSA) of 46.2 Ų, 靛红 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 靛红 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 靛红?
The CAS number of 靛红 is 91-56-5.
What is the molecular formula of 靛红?
The molecular formula of 靛红 is C8H5NO2.
What is the molecular weight of 靛红?
The molecular weight of 靛红 is 147.03 g/mol.
Where can I buy 靛红?
You can request a quote for 靛红 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 靛红?
Yes, KEHONG BIO provides custom synthesis services for 靛红 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.