allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 796879-58-8) is a chemical compound with molecular formula C29H25N3O3S and molecular weight 495.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-2-methyl-6-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 5-cyano-2-methyl-6-{[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl}-4-phenyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-2-methyl-6-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C29H25N3O3S |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 5.63688 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.16165 |
| Heavy Atoms | 36 |
| Complexity | 1415.205 |
Chemical Identifiers
| CAS Number | 796879-58-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC3=CC=CC=C32)C#N)C4=CC=CC=C4)C(=O)OCC=C |
Product Overview
allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 796879-58-8), with molecular formula C29H25N3O3S and molecular weight 495.16 g/mol. IUPAC: prop-2-enyl 5-cyano-2-methyl-6-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-4-phenyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.63688 indicates that allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate is 796879-58-8.
What is the molecular formula of allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate is C29H25N3O3S.
What is the molecular weight of allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate is 495.16 g/mol.
Where can I buy allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 5-cyano-2-methyl-6-((2-(naphthalen-1-ylamino)-2-oxoethyl)thio)-4-phenyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.