1-Aminopyridin-1-ium-4-carboxylate
TL;DR: 1-Aminopyridin-1-ium-4-carboxylate (CAS 31775-03-8) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-aminopyridin-1-ium-4-carboxylate
Also Known As: 1-aminopyridin-1-ium-4-carboxylate, 1-aminopyridine-4-carboxylate, 9677AH
| Molecular Formula | C6H6N2O2 |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | -1.9486 |
| Topological Polar Surface Area | 70.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.04292 |
| Heavy Atoms | 10 |
| Complexity | 242.42966 |
Chemical Identifiers
| CAS Number | 31775-03-8 |
|---|---|
| SMILES | C1=C[N+](=CC=C1C(=O)[O-])N |
Product Overview
1-Aminopyridin-1-ium-4-carboxylate (CAS 31775-03-8), with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol. IUPAC: 1-aminopyridin-1-ium-4-carboxylate.
Chemical Property Profile of 1-Aminopyridin-1-ium-4-carboxylate
Property Insights of 1-Aminopyridin-1-ium-4-carboxylate
The XLogP value of -1.9486 indicates that 1-Aminopyridin-1-ium-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Aminopyridin-1-ium-4-carboxylate. Following Lipinski's Rule of Five, 1-Aminopyridin-1-ium-4-carboxylate has 1 hydrogen bond donor(s) and 3 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 1-Aminopyridin-1-ium-4-carboxylate?
The CAS number of 1-Aminopyridin-1-ium-4-carboxylate is 31775-03-8.
What is the molecular formula of 1-Aminopyridin-1-ium-4-carboxylate?
The molecular formula of 1-Aminopyridin-1-ium-4-carboxylate is C6H6N2O2.
What is the molecular weight of 1-Aminopyridin-1-ium-4-carboxylate?
The molecular weight of 1-Aminopyridin-1-ium-4-carboxylate is 138.04 g/mol.
Where can I buy 1-Aminopyridin-1-ium-4-carboxylate?
You can request a quote for 1-Aminopyridin-1-ium-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Aminopyridin-1-ium-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-Aminopyridin-1-ium-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.