AO-081/41887388
TL;DR: AO-081/41887388 (CAS 663203-71-2) is a chemical compound with molecular formula C24H22BrN3O5S and molecular weight 543.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: AO-081/41887388, methyl 6-({2-[(2-bromo-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 6-((2-((2-bromo-4-methylphenyl)amino)-2-oxoethyl)thio)-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-{[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
| Molecular Formula | C24H22BrN3O5S |
|---|---|
| Molecular Weight | 543.05 g/mol |
| LogP | 3.8758 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.0463 |
| Heavy Atoms | 34 |
| Complexity | 1190.0848 |
Chemical Identifiers
| CAS Number | 663203-71-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=C(C=C3)OC)C#N)Br |
Product Overview
AO-081/41887388 (CAS 663203-71-2), with molecular formula C24H22BrN3O5S and molecular weight 543.05 g/mol. IUPAC: methyl 6-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of AO-081/41887388
Property Insights of AO-081/41887388
The XLogP value of 3.8758 indicates that AO-081/41887388 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-081/41887388. Following Lipinski's Rule of Five, AO-081/41887388 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-081/41887388?
The CAS number of AO-081/41887388 is 663203-71-2.
What is the molecular formula of AO-081/41887388?
The molecular formula of AO-081/41887388 is C24H22BrN3O5S.
What is the molecular weight of AO-081/41887388?
The molecular weight of AO-081/41887388 is 543.05 g/mol.
Where can I buy AO-081/41887388?
You can request a quote for AO-081/41887388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41887388?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41887388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.