Methyl 4-amino-5-cyano-6-hydroxynicotinate
TL;DR: Methyl 4-amino-5-cyano-6-hydroxynicotinate (CAS 439096-09-0) is a chemical compound with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-amino-5-cyano-6-oxo-1H-pyridine-3-carboxylate
Also Known As: methyl 4-amino-5-cyano-6-hydroxynicotinate, methyl 4-amino-5-cyano-6-oxo-1H-pyridine-3-carboxylate, 2T-0004, methyl 4-amino-5-cyano-6-hydroxypyridine-3-carboxylate, 3-pyridinecarboxylic acid,4-amino-5-cyano-1,6-dihydro-6-oxo-,methyl ester
| Molecular Formula | C8H7N3O3 |
|---|---|
| Molecular Weight | 193.05 g/mol |
| LogP | -0.38462 |
| Topological Polar Surface Area | 108.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 193.04874 |
| Heavy Atoms | 14 |
| Complexity | 469.70035 |
Chemical Identifiers
| CAS Number | 439096-09-0 |
|---|---|
| SMILES | COC(=O)C1=CNC(=O)C(=C1N)C#N |
Product Overview
Methyl 4-amino-5-cyano-6-hydroxynicotinate (CAS 439096-09-0), with molecular formula C8H7N3O3 and molecular weight 193.05 g/mol. IUPAC: methyl 4-amino-5-cyano-6-oxo-1H-pyridine-3-carboxylate.
Chemical Property Profile of Methyl 4-amino-5-cyano-6-hydroxynicotinate
Property Insights of Methyl 4-amino-5-cyano-6-hydroxynicotinate
The XLogP value of -0.38462 indicates that Methyl 4-amino-5-cyano-6-hydroxynicotinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-amino-5-cyano-6-hydroxynicotinate. Following Lipinski's Rule of Five, Methyl 4-amino-5-cyano-6-hydroxynicotinate 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 4-amino-5-cyano-6-hydroxynicotinate?
The CAS number of Methyl 4-amino-5-cyano-6-hydroxynicotinate is 439096-09-0.
What is the molecular formula of Methyl 4-amino-5-cyano-6-hydroxynicotinate?
The molecular formula of Methyl 4-amino-5-cyano-6-hydroxynicotinate is C8H7N3O3.
What is the molecular weight of Methyl 4-amino-5-cyano-6-hydroxynicotinate?
The molecular weight of Methyl 4-amino-5-cyano-6-hydroxynicotinate is 193.05 g/mol.
Where can I buy Methyl 4-amino-5-cyano-6-hydroxynicotinate?
You can request a quote for Methyl 4-amino-5-cyano-6-hydroxynicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-amino-5-cyano-6-hydroxynicotinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-amino-5-cyano-6-hydroxynicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.