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Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate
TL;DR: Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate (CAS 22794-97-4) is a chemical compound with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(hydroxyiminomethyl)pyridine-4-carboxylate
Also Known As: Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate
| Molecular Formula | C8H8N2O3 |
|---|---|
| Molecular Weight | 180.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.0535 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 22794-97-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=NC=C1)C=NO |
| InChIKey | BZVUIJSHYKNYLZ-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate (CAS 22794-97-4), with molecular formula C8H8N2O3 and molecular weight 180.05 g/mol. IUPAC: methyl 2-(hydroxyiminomethyl)pyridine-4-carboxylate.
Chemical Property Profile of Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate
Property Insights of Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate. Following Lipinski's Rule of Five, Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate has 1 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-[(hydroxyimino)methyl]-4-pyridinecarboxylate?
The CAS number of Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate is 22794-97-4.
What is the molecular formula of Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate?
The molecular formula of Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate is C8H8N2O3.
What is the molecular weight of Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate?
The molecular weight of Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate is 180.05 g/mol.
Where can I buy Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate?
You can request a quote for Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(hydroxyimino)methyl]-4-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.