2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester
TL;DR: 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester (CAS 372103-88-3) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-3-cyano-5-methylpyridine-4-carboxylate
Also Known As: Methyl 2-amino-3-cyano-5-methylisonicotinate #, 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester, methyl 2-amino-3-cyano-5-methylpyridine-4-carboxylate, 4-pyridinecarboxylic acid,2-amino-3-cyano-5-methyl-,methyl ester, 4-Pyridinecarboxylic acid, 2-amino-3-cyano-5-methyl-, methyl ester (9CI)
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 372103-88-3 |
|---|---|
| SMILES | CC1=CN=C(C(=C1C(=O)OC)C#N)N |
| InChIKey | SEHFQDBFXFYFDX-UHFFFAOYSA-N |
Product Overview
2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester (CAS 372103-88-3), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: methyl 2-amino-3-cyano-5-methylpyridine-4-carboxylate.
Chemical Property Profile of 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester
Property Insights of 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester. Following Lipinski's Rule of Five, 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester 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 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester?
The CAS number of 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester is 372103-88-3.
What is the molecular formula of 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester?
The molecular formula of 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester is C9H9N3O2.
What is the molecular weight of 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester?
The molecular weight of 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester is 191.07 g/mol.
Where can I buy 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester?
You can request a quote for 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-cyano-5-methyl-isonicotinic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.