Isopropyl 5,6-diaminonicotinate
TL;DR: Isopropyl 5,6-diaminonicotinate (CAS 403668-98-4) is a chemical compound with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5,6-diaminopyridine-3-carboxylate
Also Known As: isopropyl 5,6-diaminonicotinate, starbld0018475, Propan-2-yl 5,6-diaminopyridine-3-carboxylate, 5,6-diamino-nicotinic acid isopropyl ester, 3-Pyridinecarboxylicacid,5,6-diamino-,1-methylethylester
| Molecular Formula | C9H13N3O2 |
|---|---|
| Molecular Weight | 195.10 g/mol |
| LogP | 0.8112 |
| Topological Polar Surface Area | 91.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.10077 |
| Heavy Atoms | 14 |
| Complexity | 349.91034 |
Chemical Identifiers
| CAS Number | 403668-98-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C(N=C1)N)N |
Product Overview
Isopropyl 5,6-diaminonicotinate (CAS 403668-98-4), with molecular formula C9H13N3O2 and molecular weight 195.10 g/mol. IUPAC: propan-2-yl 5,6-diaminopyridine-3-carboxylate.
Chemical Property Profile of Isopropyl 5,6-diaminonicotinate
Property Insights of Isopropyl 5,6-diaminonicotinate
The XLogP value of 0.8112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 5,6-diaminonicotinate. The TPSA of 91.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 5,6-diaminonicotinate. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl 5,6-diaminonicotinate?
The CAS number of Isopropyl 5,6-diaminonicotinate is 403668-98-4.
What is the molecular formula of Isopropyl 5,6-diaminonicotinate?
The molecular formula of Isopropyl 5,6-diaminonicotinate is C9H13N3O2.
What is the molecular weight of Isopropyl 5,6-diaminonicotinate?
The molecular weight of Isopropyl 5,6-diaminonicotinate is 195.10 g/mol.
Where can I buy Isopropyl 5,6-diaminonicotinate?
You can request a quote for Isopropyl 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 Isopropyl 5,6-diaminonicotinate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 5,6-diaminonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.