(3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime
TL;DR: (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime (CAS 13208-96-3) is a chemical compound with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-nitroso-1H-indol-2-ol
Also Known As: 7-methylisatin-3-oxime, (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime, (Z)-3-(Hydroxyimino)-7-methylindolin-2-one, 3-(hydroxyamino)-7-methylindol-2-one, 7-methyl-3-nitroso-1H-indol-2-ol
| Molecular Formula | C9H8N2O2 |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.05858 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 13208-96-3 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=C(N2)O)N=O |
| InChIKey | UXIBRJCCFJQRKX-UHFFFAOYSA-N |
Product Overview
(3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime (CAS 13208-96-3), with molecular formula C9H8N2O2 and molecular weight 176.06 g/mol. IUPAC: 7-methyl-3-nitroso-1H-indol-2-ol.
Chemical Property Profile of (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime
Property Insights of (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime. Following Lipinski's Rule of Five, (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime 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 (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime?
The CAS number of (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime is 13208-96-3.
What is the molecular formula of (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime?
The molecular formula of (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime is C9H8N2O2.
What is the molecular weight of (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime?
The molecular weight of (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime is 176.06 g/mol.
Where can I buy (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime?
You can request a quote for (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-7-Methyl-1H-indole-2,3-dione 3-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.