Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate
TL;DR: Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate (CAS 329709-98-0) is a chemical compound with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carboxylate
Also Known As: Maybridge3_005343, IDI1_016730, Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate, ethyl 5-(hydroxyamino)-4-methylsulfanyl-2-oxopyrrole-3-carboxylate, Ethyl 5-(hydroxyimino)-4-(methylsulfanyl)-2-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C8H10N2O4S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 2.0168 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.03613 |
| Heavy Atoms | 15 |
| Complexity | 388.23856 |
Chemical Identifiers
| CAS Number | 329709-98-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1SC)N=O)O |
Product Overview
Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate (CAS 329709-98-0), with molecular formula C8H10N2O4S and molecular weight 230.04 g/mol. IUPAC: ethyl 2-hydroxy-4-methylsulfanyl-5-nitroso-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate
Property Insights of Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate
The XLogP value of 2.0168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate. The TPSA of 91.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate has 2 hydrogen bond donor(s) and 6 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 Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate?
The CAS number of Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate is 329709-98-0.
What is the molecular formula of Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate?
The molecular formula of Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate is C8H10N2O4S.
What is the molecular weight of Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate?
The molecular weight of Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate is 230.04 g/mol.
Where can I buy Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate?
You can request a quote for Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(hydroxyamino)-4-(methylthio)-2-oxo-2H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.