3-Amino-isonicotinic acid ethyl ester hydrochloride
TL;DR: 3-Amino-isonicotinic acid ethyl ester hydrochloride (CAS 306936-11-8) is a chemical compound with molecular formula C8H11ClN2O2 and molecular weight 202.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-aminopyridine-4-carboxylate;hydrochloride
Also Known As: 3-Amino-isonicotinic acid ethyl ester hydrochloride, ethyl 3-aminoisonicotinate hydrochloride, Ethyl 3-aminopyridine-4-carboxylate Hydrochloride, 2144AJ, 3-Amino-isonicotinic acid ethyl ester (Hydrochloride)
| Molecular Formula | C8H11ClN2O2 |
|---|---|
| Molecular Weight | 202.05 g/mol |
| LogP | 1.2623 |
| Topological Polar Surface Area | 65.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.0509 |
| Heavy Atoms | 13 |
| Complexity | 291.22745 |
Chemical Identifiers
| CAS Number | 306936-11-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=NC=C1)N.Cl |
Product Overview
3-Amino-isonicotinic acid ethyl ester hydrochloride (CAS 306936-11-8), with molecular formula C8H11ClN2O2 and molecular weight 202.05 g/mol. IUPAC: ethyl 3-aminopyridine-4-carboxylate;hydrochloride.
Chemical Property Profile of 3-Amino-isonicotinic acid ethyl ester hydrochloride
Property Insights of 3-Amino-isonicotinic acid ethyl ester hydrochloride
The XLogP value of 1.2623 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-isonicotinic acid ethyl ester hydrochloride. The TPSA of 65.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-isonicotinic acid ethyl ester hydrochloride. Following Lipinski's Rule of Five, 3-Amino-isonicotinic acid ethyl ester hydrochloride has 1 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 3-Amino-isonicotinic acid ethyl ester hydrochloride?
The CAS number of 3-Amino-isonicotinic acid ethyl ester hydrochloride is 306936-11-8.
What is the molecular formula of 3-Amino-isonicotinic acid ethyl ester hydrochloride?
The molecular formula of 3-Amino-isonicotinic acid ethyl ester hydrochloride is C8H11ClN2O2.
What is the molecular weight of 3-Amino-isonicotinic acid ethyl ester hydrochloride?
The molecular weight of 3-Amino-isonicotinic acid ethyl ester hydrochloride is 202.05 g/mol.
Where can I buy 3-Amino-isonicotinic acid ethyl ester hydrochloride?
You can request a quote for 3-Amino-isonicotinic acid ethyl ester hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-isonicotinic acid ethyl ester hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-isonicotinic acid ethyl ester hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.