AO-022/40939119
TL;DR: AO-022/40939119 (CAS 370849-01-7) is a chemical compound with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: AO-022/40939119, methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 5-cyano-6-((2-((3,4-dimethylphenyl)amino)-2-oxoethyl)thio)-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, METHYL 5-CYANO-6-({[(3,4-DIMETHYLPHENYL)CARBAMOYL]METHYL}SULFANYL)-2-OXO-4-[4-(PROPAN-2-YL)PHENYL]-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE
| Molecular Formula | C27H29N3O4S |
|---|---|
| Molecular Weight | 491.19 g/mol |
| LogP | 4.53652 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.18787 |
| Heavy Atoms | 35 |
| Complexity | 1211.9225 |
Chemical Identifiers
| CAS Number | 370849-01-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=C(C=C3)C(C)C)C#N)C |
Product Overview
AO-022/40939119 (CAS 370849-01-7), with molecular formula C27H29N3O4S and molecular weight 491.19 g/mol. IUPAC: methyl 5-cyano-6-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of AO-022/40939119
Property Insights of AO-022/40939119
The XLogP value of 4.53652 indicates that AO-022/40939119 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/40939119. Following Lipinski's Rule of Five, AO-022/40939119 has 2 hydrogen bond donor(s) and 6 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 AO-022/40939119?
The CAS number of AO-022/40939119 is 370849-01-7.
What is the molecular formula of AO-022/40939119?
The molecular formula of AO-022/40939119 is C27H29N3O4S.
What is the molecular weight of AO-022/40939119?
The molecular weight of AO-022/40939119 is 491.19 g/mol.
Where can I buy AO-022/40939119?
You can request a quote for AO-022/40939119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/40939119?
Yes, KEHONG BIO provides custom synthesis services for AO-022/40939119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.