AO-022/43455273
TL;DR: AO-022/43455273 (CAS 846593-38-2) is a chemical compound with molecular formula C26H25ClN4O4 and molecular weight 492.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-butyl-6-(4-chlorobenzoyl)imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: AO-022/43455273, ethyl 1-butyl-2-[(4-chlorobenzoyl)imino]-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, Ethyl 7-butyl-6-(4-chlorobenzoyl)imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, (Z)-ethyl 1-butyl-2-((4-chlorobenzoyl)imino)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-1-butyl-2-{[(4-chlorophenyl)carbonyl]imino}-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C26H25ClN4O4 |
|---|---|
| Molecular Weight | 492.16 g/mol |
| LogP | 4.32892 |
| Topological Polar Surface Area | 95.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.15643 |
| Heavy Atoms | 35 |
| Complexity | 1569.3744 |
Chemical Identifiers
| CAS Number | 846593-38-2 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=NC(=O)C3=CC=C(C=C3)Cl)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AO-022/43455273 (CAS 846593-38-2), with molecular formula C26H25ClN4O4 and molecular weight 492.16 g/mol. IUPAC: ethyl 7-butyl-6-(4-chlorobenzoyl)imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of AO-022/43455273
Property Insights of AO-022/43455273
The XLogP value of 4.32892 indicates that AO-022/43455273 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-022/43455273. Following Lipinski's Rule of Five, AO-022/43455273 has 0 hydrogen bond donor(s) and 5 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-022/43455273?
The CAS number of AO-022/43455273 is 846593-38-2.
What is the molecular formula of AO-022/43455273?
The molecular formula of AO-022/43455273 is C26H25ClN4O4.
What is the molecular weight of AO-022/43455273?
The molecular weight of AO-022/43455273 is 492.16 g/mol.
Where can I buy AO-022/43455273?
You can request a quote for AO-022/43455273 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43455273?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43455273 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.