AO-022/43455285
TL;DR: AO-022/43455285 (CAS 846587-80-2) is a chemical compound with molecular formula C24H24N4O4S and molecular weight 464.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 11-methyl-7-(2-methylpropyl)-2-oxo-6-(thiophene-2-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: AO-022/43455285, ethyl 1-isobutyl-10-methyl-5-oxo-2-[(2-thienylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, Ethyl 11-methyl-7-(2-methylpropyl)-2-oxo-6-(thiophene-2-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, (Z)-ethyl 1-isobutyl-10-methyl-5-oxo-2-((thiophene-2-carbonyl)imino)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-10-methyl-1-(2-methylpropyl)-5-oxo-2-[(thiophen-2-ylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C24H24N4O4S |
|---|---|
| Molecular Weight | 464.15 g/mol |
| LogP | 3.59292 |
| Topological Polar Surface Area | 95.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.15182 |
| Heavy Atoms | 33 |
| Complexity | 1497.2056 |
Chemical Identifiers
| CAS Number | 846587-80-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)C4=CC=CS4)CC(C)C |
Product Overview
AO-022/43455285 (CAS 846587-80-2), with molecular formula C24H24N4O4S and molecular weight 464.15 g/mol. IUPAC: ethyl 11-methyl-7-(2-methylpropyl)-2-oxo-6-(thiophene-2-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of AO-022/43455285
Property Insights of AO-022/43455285
The XLogP value of 3.59292 indicates that AO-022/43455285 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43455285. Following Lipinski's Rule of Five, AO-022/43455285 has 0 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-022/43455285?
The CAS number of AO-022/43455285 is 846587-80-2.
What is the molecular formula of AO-022/43455285?
The molecular formula of AO-022/43455285 is C24H24N4O4S.
What is the molecular weight of AO-022/43455285?
The molecular weight of AO-022/43455285 is 464.15 g/mol.
Where can I buy AO-022/43455285?
You can request a quote for AO-022/43455285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43455285?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43455285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.