AO-022/42435164
TL;DR: AO-022/42435164 (CAS 799784-58-0) is a chemical compound with molecular formula C26H21FN4O3S and molecular weight 488.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-6-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: AO-022/42435164, 5-cyano-6-({2-[(2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-6-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-6-((2-((2-fluorophenyl)amino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-6-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-furyl)-2-methyl-N-phenyl-1,4-dihydro-3-pyridinecarboxamide
| Molecular Formula | C26H21FN4O3S |
|---|---|
| Molecular Weight | 488.13 g/mol |
| LogP | 5.12528 |
| Topological Polar Surface Area | 107.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.13184 |
| Heavy Atoms | 35 |
| Complexity | 1344.4263 |
Chemical Identifiers
| CAS Number | 799784-58-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2F)C#N)C3=CC=CO3)C(=O)NC4=CC=CC=C4 |
Product Overview
AO-022/42435164 (CAS 799784-58-0), with molecular formula C26H21FN4O3S and molecular weight 488.13 g/mol. IUPAC: 5-cyano-6-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of AO-022/42435164
Property Insights of AO-022/42435164
The XLogP value of 5.12528 indicates that AO-022/42435164 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42435164. Following Lipinski's Rule of Five, AO-022/42435164 has 3 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 AO-022/42435164?
The CAS number of AO-022/42435164 is 799784-58-0.
What is the molecular formula of AO-022/42435164?
The molecular formula of AO-022/42435164 is C26H21FN4O3S.
What is the molecular weight of AO-022/42435164?
The molecular weight of AO-022/42435164 is 488.13 g/mol.
Where can I buy AO-022/42435164?
You can request a quote for AO-022/42435164 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42435164?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42435164 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.