ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 5463-46-7) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Maybridge1_004673, ethyl (4E)-4-[1-(hydroxyamino)ethylidene]-3,5-dimethylpyrrol, ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 5463-46-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)C(=NO)C)C |
| InChIKey | GVTLKBLWKJUIQO-UHFFFAOYSA-N |
Product Overview
ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 5463-46-7), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 4 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 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 5463-46-7.
What is the molecular formula of ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is C11H16N2O3.
What is the molecular weight of ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 224.12 g/mol.
Where can I buy ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.