2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile
TL;DR: 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile (CAS 104720-49-2) is a chemical compound with molecular formula C9H7N5O2 and molecular weight 217.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile
Also Known As: 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile, 12M-921, 2,4-diamino-5,7-dioxo-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile, 2,4-diamino-5,7-dioxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
| Molecular Formula | C9H7N5O2 |
|---|---|
| Molecular Weight | 217.06 g/mol |
| LogP | -1.06982 |
| Topological Polar Surface Area | 134.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.05997 |
| Heavy Atoms | 16 |
| Complexity | 557.9983 |
Chemical Identifiers
| CAS Number | 104720-49-2 |
|---|---|
| SMILES | C1C2=C(C(=C(C(=N2)N)C#N)N)C(=O)NC1=O |
Product Overview
2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile (CAS 104720-49-2), with molecular formula C9H7N5O2 and molecular weight 217.06 g/mol. IUPAC: 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile
Property Insights of 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile
The XLogP value of -1.06982 indicates that 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile has 3 hydrogen bond donor(s) and 6 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 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile?
The CAS number of 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile is 104720-49-2.
What is the molecular formula of 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile?
The molecular formula of 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile is C9H7N5O2.
What is the molecular weight of 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile?
The molecular weight of 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile is 217.06 g/mol.
Where can I buy 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile?
You can request a quote for 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-diamino-5,7-dioxo-8H-1,6-naphthyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.