5-Chloro-1H-indole-2,3-dione 3-oxime
TL;DR: 5-Chloro-1H-indole-2,3-dione 3-oxime (CAS 85124-16-9) is a chemical compound with molecular formula C8H5ClN2O2 and molecular weight 196.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-nitroso-1H-indol-2-ol
Also Known As: 5-Chlorisatin-3-oxim, 5-Chloro-1H-indole-2,3-dione 3-oxime, 5-Chloroisatin 3-oxime, (3Z)-5-chloro-1H-indole-2,3-dione 3-oxime, 5-Chloro-3-(hydroxyimino)indolin-2-one
| Molecular Formula | C8H5ClN2O2 |
|---|---|
| Molecular Weight | 196.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.00395 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 85124-16-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)C(=C(N2)O)N=O |
| InChIKey | YEMCVLHZEIKIKZ-UHFFFAOYSA-N |
Product Overview
5-Chloro-1H-indole-2,3-dione 3-oxime (CAS 85124-16-9), with molecular formula C8H5ClN2O2 and molecular weight 196.00 g/mol. IUPAC: 5-chloro-3-nitroso-1H-indol-2-ol.
Chemical Property Profile of 5-Chloro-1H-indole-2,3-dione 3-oxime
Property Insights of 5-Chloro-1H-indole-2,3-dione 3-oxime
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-1H-indole-2,3-dione 3-oxime. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-1H-indole-2,3-dione 3-oxime. Following Lipinski's Rule of Five, 5-Chloro-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 5-Chloro-1H-indole-2,3-dione 3-oxime?
The CAS number of 5-Chloro-1H-indole-2,3-dione 3-oxime is 85124-16-9.
What is the molecular formula of 5-Chloro-1H-indole-2,3-dione 3-oxime?
The molecular formula of 5-Chloro-1H-indole-2,3-dione 3-oxime is C8H5ClN2O2.
What is the molecular weight of 5-Chloro-1H-indole-2,3-dione 3-oxime?
The molecular weight of 5-Chloro-1H-indole-2,3-dione 3-oxime is 196.00 g/mol.
Where can I buy 5-Chloro-1H-indole-2,3-dione 3-oxime?
You can request a quote for 5-Chloro-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 5-Chloro-1H-indole-2,3-dione 3-oxime?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-1H-indole-2,3-dione 3-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.