Methyl 5,6-diaminopyridine-3-carboxylate
TL;DR: Methyl 5,6-diaminopyridine-3-carboxylate (CAS 104685-76-9) is a chemical compound with molecular formula C7H9N3O2 and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,6-diaminopyridine-3-carboxylate
Also Known As: METHYL 5,6-DIAMINONICOTINATE, Methyl 5,6-diaminopyridine-3-carboxylate, 5,6-Diaminopyridine-3-carboxylic acid methyl ester, methyl-5,6-diaminonicotinate, METHYL5,6-DIAMINONICOTINATE
| Molecular Formula | C7H9N3O2 |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 0.0326 |
| Topological Polar Surface Area | 91.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.06947 |
| Heavy Atoms | 12 |
| Complexity | 311.51984 |
Chemical Identifiers
| CAS Number | 104685-76-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(N=C1)N)N |
Product Overview
Methyl 5,6-diaminopyridine-3-carboxylate (CAS 104685-76-9), with molecular formula C7H9N3O2 and molecular weight 167.07 g/mol. IUPAC: methyl 5,6-diaminopyridine-3-carboxylate.
Chemical Property Profile of Methyl 5,6-diaminopyridine-3-carboxylate
Property Insights of Methyl 5,6-diaminopyridine-3-carboxylate
The XLogP value of 0.0326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5,6-diaminopyridine-3-carboxylate. The TPSA of 91.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5,6-diaminopyridine-3-carboxylate. Following Lipinski's Rule of Five, Methyl 5,6-diaminopyridine-3-carboxylate 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 5,6-diaminopyridine-3-carboxylate?
The CAS number of Methyl 5,6-diaminopyridine-3-carboxylate is 104685-76-9.
What is the molecular formula of Methyl 5,6-diaminopyridine-3-carboxylate?
The molecular formula of Methyl 5,6-diaminopyridine-3-carboxylate is C7H9N3O2.
What is the molecular weight of Methyl 5,6-diaminopyridine-3-carboxylate?
The molecular weight of Methyl 5,6-diaminopyridine-3-carboxylate is 167.07 g/mol.
Where can I buy Methyl 5,6-diaminopyridine-3-carboxylate?
You can request a quote for Methyl 5,6-diaminopyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5,6-diaminopyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5,6-diaminopyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.