AO-022/43390777
TL;DR: AO-022/43390777 (CAS 836639-69-1) is a chemical compound with molecular formula C25H23N5O3 and molecular weight 441.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[13-(2-methylpropyl)-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl]benzoate
Also Known As: AO-022/43390777, ethyl 3-(3-isobutyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)benzoate, ethyl 3-(3-isobutyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate, ethyl 3-[3-(2-methylpropyl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
| Molecular Formula | C25H23N5O3 |
|---|---|
| Molecular Weight | 441.18 g/mol |
| LogP | 4.1163 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.18008 |
| Heavy Atoms | 33 |
| Complexity | 1582.4469 |
Chemical Identifiers
| CAS Number | 836639-69-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)N2C3=C(C4=NC5=CC=CC=C5N=C42)C(=O)N(C=N3)CC(C)C |
Product Overview
AO-022/43390777 (CAS 836639-69-1), with molecular formula C25H23N5O3 and molecular weight 441.18 g/mol. IUPAC: ethyl 3-[13-(2-methylpropyl)-12-oxo-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-17-yl]benzoate.
Chemical Property Profile of AO-022/43390777
Property Insights of AO-022/43390777
The XLogP value of 4.1163 indicates that AO-022/43390777 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43390777. Following Lipinski's Rule of Five, AO-022/43390777 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-022/43390777?
The CAS number of AO-022/43390777 is 836639-69-1.
What is the molecular formula of AO-022/43390777?
The molecular formula of AO-022/43390777 is C25H23N5O3.
What is the molecular weight of AO-022/43390777?
The molecular weight of AO-022/43390777 is 441.18 g/mol.
Where can I buy AO-022/43390777?
You can request a quote for AO-022/43390777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43390777?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43390777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.