Ethyl 5,6-diaminonicotinate
TL;DR: Ethyl 5,6-diaminonicotinate (CAS 219762-81-9) is a chemical compound with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,6-diaminopyridine-3-carboxylate
Also Known As: ethyl 5,6-diaminonicotinate, Ethyl 5,6-diaminopyridine-3-carboxylate, starbld0000391, 5,6-Diaminopyridine-3-carboxylic acid ethyl ester, 5,6-diamino-nicotinic acid ethyl ester
| Molecular Formula | C8H11N3O2 |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 0.4227 |
| Topological Polar Surface Area | 91.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.08513 |
| Heavy Atoms | 13 |
| Complexity | 325.16522 |
Chemical Identifiers
| CAS Number | 219762-81-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(N=C1)N)N |
Product Overview
Ethyl 5,6-diaminonicotinate (CAS 219762-81-9), with molecular formula C8H11N3O2 and molecular weight 181.09 g/mol. IUPAC: ethyl 5,6-diaminopyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5,6-diaminonicotinate
Property Insights of Ethyl 5,6-diaminonicotinate
The XLogP value of 0.4227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5,6-diaminonicotinate. The TPSA of 91.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5,6-diaminonicotinate. Following Lipinski's Rule of Five, Ethyl 5,6-diaminonicotinate 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 Ethyl 5,6-diaminonicotinate?
The CAS number of Ethyl 5,6-diaminonicotinate is 219762-81-9.
What is the molecular formula of Ethyl 5,6-diaminonicotinate?
The molecular formula of Ethyl 5,6-diaminonicotinate is C8H11N3O2.
What is the molecular weight of Ethyl 5,6-diaminonicotinate?
The molecular weight of Ethyl 5,6-diaminonicotinate is 181.09 g/mol.
Where can I buy Ethyl 5,6-diaminonicotinate?
You can request a quote for Ethyl 5,6-diaminonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5,6-diaminonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5,6-diaminonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.