Isatin 3-semicarbazone
TL;DR: Isatin 3-semicarbazone (CAS 5225-58-1) is a chemical compound with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hydroxy-1H-indol-3-yl)iminourea
Also Known As: isatin 3-semicarbazone, [(2-oxoindol-3-yl)amino]urea, 3-Semicarbazonoindoline-2-one, (2-hydroxy-1H-indol-3-yl)iminourea, 1H-indole-2,3-dione 3-semicarbazone
| Molecular Formula | C9H8N4O2 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.06473 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 5225-58-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)N |
| InChIKey | LRTRJUOARYHNDB-UHFFFAOYSA-N |
Product Overview
Isatin 3-semicarbazone (CAS 5225-58-1), with molecular formula C9H8N4O2 and molecular weight 204.06 g/mol. IUPAC: (2-hydroxy-1H-indol-3-yl)iminourea.
Chemical Property Profile of Isatin 3-semicarbazone
Property Insights of Isatin 3-semicarbazone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isatin 3-semicarbazone. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isatin 3-semicarbazone. Following Lipinski's Rule of Five, Isatin 3-semicarbazone has 3 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 Isatin 3-semicarbazone?
The CAS number of Isatin 3-semicarbazone is 5225-58-1.
What is the molecular formula of Isatin 3-semicarbazone?
The molecular formula of Isatin 3-semicarbazone is C9H8N4O2.
What is the molecular weight of Isatin 3-semicarbazone?
The molecular weight of Isatin 3-semicarbazone is 204.06 g/mol.
Where can I buy Isatin 3-semicarbazone?
You can request a quote for Isatin 3-semicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isatin 3-semicarbazone?
Yes, KEHONG BIO provides custom synthesis services for Isatin 3-semicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.