Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate
TL;DR: Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate (CAS 681464-75-5) is a chemical compound with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-hydroxy-2-nitroso-1H-indole-7-carboxylate
Also Known As: Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate, methyl 2-(hydroxyamino)-3-oxoindole-7-carboxylate, Methyl 2-(hydroxyimino)-3-oxo-2,3-dihydro-1H-indole-7-carboxylate
| Molecular Formula | C10H8N2O4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 2.058 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.0484 |
| Heavy Atoms | 16 |
| Complexity | 573.4479 |
Chemical Identifiers
| CAS Number | 681464-75-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC2=C1NC(=C2O)N=O |
Product Overview
Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate (CAS 681464-75-5), with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol. IUPAC: methyl 3-hydroxy-2-nitroso-1H-indole-7-carboxylate.
Chemical Property Profile of Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate
Property Insights of Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate
The XLogP value of 2.058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate. Following Lipinski's Rule of Five, Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate has 2 hydrogen bond donor(s) and 5 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 Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate?
The CAS number of Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate is 681464-75-5.
What is the molecular formula of Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate?
The molecular formula of Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate is C10H8N2O4.
What is the molecular weight of Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate?
The molecular weight of Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate is 220.05 g/mol.
Where can I buy Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate?
You can request a quote for Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(hydroxyamino)-3-oxo-3H-indole-7-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.