AO-022/43453332
TL;DR: AO-022/43453332 (CAS 844656-45-7) is a chemical compound with molecular formula C22H26N4O4 and molecular weight 410.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-acetylimino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: AO-022/43453332, (Z)-ethyl 2-(acetylimino)-10-methyl-5-oxo-1-pentyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, Ethyl 6-acetylimino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl (2Z)-2-(acetylimino)-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl 2-(acetylimino)-10-methyl-5-oxo-1-pentyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
| Molecular Formula | C22H26N4O4 |
|---|---|
| Molecular Weight | 410.20 g/mol |
| LogP | 2.77172 |
| Topological Polar Surface Area | 95.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.1954 |
| Heavy Atoms | 30 |
| Complexity | 1253.9381 |
Chemical Identifiers
| CAS Number | 844656-45-7 |
|---|---|
| SMILES | CCCCCN1C2=C(C=C(C1=NC(=O)C)C(=O)OCC)C(=O)N3C=CC=C(C3=N2)C |
Product Overview
AO-022/43453332 (CAS 844656-45-7), with molecular formula C22H26N4O4 and molecular weight 410.20 g/mol. IUPAC: ethyl 6-acetylimino-11-methyl-2-oxo-7-pentyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of AO-022/43453332
Property Insights of AO-022/43453332
The XLogP value of 2.77172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43453332. The TPSA of 95.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453332. Following Lipinski's Rule of Five, AO-022/43453332 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-022/43453332?
The CAS number of AO-022/43453332 is 844656-45-7.
What is the molecular formula of AO-022/43453332?
The molecular formula of AO-022/43453332 is C22H26N4O4.
What is the molecular weight of AO-022/43453332?
The molecular weight of AO-022/43453332 is 410.20 g/mol.
Where can I buy AO-022/43453332?
You can request a quote for AO-022/43453332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453332?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.