AO-022/43390446
TL;DR: AO-022/43390446 (CAS 848730-86-9) is a chemical compound with molecular formula C26H25N5O4 and molecular weight 471.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[13-(3-ethoxypropyl)-14-methyl-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-022/43390446, methyl 4-[3-(3-ethoxypropyl)-2-methyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate, Methyl 4-[13-(3-ethoxypropyl)-14-methyl-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, methyl 4-(3-(3-ethoxypropyl)-2-methyl-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate
| Molecular Formula | C26H25N5O4 |
|---|---|
| Molecular Weight | 471.19 g/mol |
| LogP | 3.80522 |
| Topological Polar Surface Area | 101.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.19064 |
| Heavy Atoms | 35 |
| Complexity | 1619.3109 |
Chemical Identifiers
| CAS Number | 848730-86-9 |
|---|---|
| SMILES | CCOCCCN1C(=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OC)C |
Product Overview
AO-022/43390446 (CAS 848730-86-9), with molecular formula C26H25N5O4 and molecular weight 471.19 g/mol. IUPAC: methyl 4-[13-(3-ethoxypropyl)-14-methyl-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-022/43390446
Property Insights of AO-022/43390446
The XLogP value of 3.80522 indicates that AO-022/43390446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43390446. Following Lipinski's Rule of Five, AO-022/43390446 has 0 hydrogen bond donor(s) and 7 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-022/43390446?
The CAS number of AO-022/43390446 is 848730-86-9.
What is the molecular formula of AO-022/43390446?
The molecular formula of AO-022/43390446 is C26H25N5O4.
What is the molecular weight of AO-022/43390446?
The molecular weight of AO-022/43390446 is 471.19 g/mol.
Where can I buy AO-022/43390446?
You can request a quote for AO-022/43390446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43390446?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43390446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.