![2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile structure](/static/products/5153/51531-96-5.webp)
2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
TL;DR: 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile (CAS 51531-96-5) is a chemical compound with molecular formula C10H7N3OS and molecular weight 217.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
Also Known As: 2-methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile, 2-methylsulfanyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbonitrile, AA-516/12432331, 2-(methylsulfanyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbonitrile
| Molecular Formula | C10H7N3OS |
|---|---|
| Molecular Weight | 217.03 g/mol |
| LogP | 1.28808 |
| Topological Polar Surface Area | 58.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.03099 |
| Heavy Atoms | 15 |
| Complexity | 612.0741 |
Chemical Identifiers
| CAS Number | 51531-96-5 |
|---|---|
| SMILES | CSC1=C(C(=O)N2C=CC=CC2=N1)C#N |
Product Overview
2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile (CAS 51531-96-5), with molecular formula C10H7N3OS and molecular weight 217.03 g/mol. IUPAC: 2-methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile.
Chemical Property Profile of 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
Property Insights of 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
The XLogP value of 1.28808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile. With a topological polar surface area (TPSA) of 58.16 Ų, 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile has 0 hydrogen bond donor(s) and 4 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-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The CAS number of 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile is 51531-96-5.
What is the molecular formula of 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The molecular formula of 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile is C10H7N3OS.
What is the molecular weight of 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
The molecular weight of 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile is 217.03 g/mol.
Where can I buy 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
You can request a quote for 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-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-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylsulfanyl-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.