![1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile structure](/static/products/4969/496970-85-5.webp)
1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
TL;DR: 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 496970-85-5) is a chemical compound with molecular formula C16H13N3S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-prop-2-enylsulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: AO-476/40672108, VU0607246-1, 1-(allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile, 3-methyl-1-prop-2-enylsulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile, F3250-0007
| Molecular Formula | C16H13N3S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 3.9457 |
| Topological Polar Surface Area | 41.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.083 |
| Heavy Atoms | 20 |
| Complexity | 855.3964 |
Chemical Identifiers
| CAS Number | 496970-85-5 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1)SCC=C)C#N |
Product Overview
1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile (CAS 496970-85-5), with molecular formula C16H13N3S and molecular weight 279.08 g/mol. IUPAC: 3-methyl-1-prop-2-enylsulfanylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Property Insights of 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
The XLogP value of 3.9457 indicates that 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-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, 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-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 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The CAS number of 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 496970-85-5.
What is the molecular formula of 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular formula of 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is C16H13N3S.
What is the molecular weight of 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
The molecular weight of 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile is 279.08 g/mol.
Where can I buy 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
You can request a quote for 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(Allylthio)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.