5-Methoxyisatin
TL;DR: 5-Methoxyisatin (CAS 39755-95-8) is a chemical compound with molecular formula C9H7NO3 and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-1H-indole-2,3-dione
Also Known As: 5-Methoxyisatin, 5-Methoxy-1H-indole-2,3-dione, 5-methoxyindoline-2,3-dione, 5-Methoxy isatin, null
| Molecular Formula | C9H7NO3 |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.04259 |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 39755-95-8 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=O)C2=O |
| InChIKey | DMHGXMPXHPOXBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxyisatin (CAS 39755-95-8), with molecular formula C9H7NO3 and molecular weight 177.04 g/mol. IUPAC: 5-methoxy-1H-indole-2,3-dione.
Chemical Property Profile of 5-Methoxyisatin
Property Insights of 5-Methoxyisatin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxyisatin. With a topological polar surface area (TPSA) of 55.4 Ų, 5-Methoxyisatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methoxyisatin has 1 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 5-Methoxyisatin?
The CAS number of 5-Methoxyisatin is 39755-95-8.
What is the molecular formula of 5-Methoxyisatin?
The molecular formula of 5-Methoxyisatin is C9H7NO3.
What is the molecular weight of 5-Methoxyisatin?
The molecular weight of 5-Methoxyisatin is 177.04 g/mol.
Where can I buy 5-Methoxyisatin?
You can request a quote for 5-Methoxyisatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxyisatin?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxyisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.