AO-081/41887379
TL;DR: AO-081/41887379 (CAS 663203-72-3) is a chemical compound with molecular formula C24H19ClF3N3O5S and molecular weight 553.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: AO-081/41887379, methyl 6-({2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate, methyl 6-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 6-((2-((4-chloro-3-(trifluoromethyl)phenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-[(2-{[4-chloro-3-(trifluoromethyl)phenyl]amino}-2-oxoethyl)sulfanyl]-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C24H19ClF3N3O5S |
|---|---|
| Molecular Weight | 553.07 g/mol |
| LogP | 4.47708 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 553.0686 |
| Heavy Atoms | 37 |
| Complexity | 1292.0153 |
Chemical Identifiers
| CAS Number | 663203-72-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)OC |
Product Overview
AO-081/41887379 (CAS 663203-72-3), with molecular formula C24H19ClF3N3O5S and molecular weight 553.07 g/mol. IUPAC: methyl 6-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of AO-081/41887379
Property Insights of AO-081/41887379
The XLogP value of 4.47708 indicates that AO-081/41887379 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-081/41887379. Following Lipinski's Rule of Five, AO-081/41887379 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-081/41887379?
The CAS number of AO-081/41887379 is 663203-72-3.
What is the molecular formula of AO-081/41887379?
The molecular formula of AO-081/41887379 is C24H19ClF3N3O5S.
What is the molecular weight of AO-081/41887379?
The molecular weight of AO-081/41887379 is 553.07 g/mol.
Where can I buy AO-081/41887379?
You can request a quote for AO-081/41887379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41887379?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41887379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.