![5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile structure](/static/products/108/108431-50-1.png)
5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile
TL;DR: 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile (CAS 108431-50-1) is a chemical compound with molecular formula C13H7N3S and molecular weight 237.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-sulfanylidenepyrido[1,2-a][1,7]naphthyridine-6-carbonitrile
Also Known As: 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile, 5-sulfanylidenepyrido[1,2-a][1,7]naphthyridine-6-carbonitrile
| Molecular Formula | C13H7N3S |
|---|---|
| Molecular Weight | 237.04 g/mol |
| LogP | 3.08867 |
| Topological Polar Surface Area | 41.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.03607 |
| Heavy Atoms | 17 |
| Complexity | 827.29236 |
Chemical Identifiers
| CAS Number | 108431-50-1 |
|---|---|
| SMILES | C1=CC2=C(C(=S)C3=C(N2C=C1)C=NC=C3)C#N |
Product Overview
5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile (CAS 108431-50-1), with molecular formula C13H7N3S and molecular weight 237.04 g/mol. IUPAC: 5-sulfanylidenepyrido[1,2-a][1,7]naphthyridine-6-carbonitrile.
Chemical Property Profile of 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile
Property Insights of 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile
The XLogP value of 3.08867 indicates that 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.09 Ų, 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile has 0 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 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile?
The CAS number of 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile is 108431-50-1.
What is the molecular formula of 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile?
The molecular formula of 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile is C13H7N3S.
What is the molecular weight of 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile?
The molecular weight of 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile is 237.04 g/mol.
Where can I buy 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile?
You can request a quote for 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-thioxo-5H-pyrido[1,2-a][1,7]naphthyridine-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.