AO-022/43454263
TL;DR: AO-022/43454263 (CAS 840460-98-2) is a chemical compound with molecular formula C21H25N5O and molecular weight 363.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methyl-13,17-bis(2-methylpropyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: AO-022/43454263, 3,11-diisobutyl-2-methyl-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 3,11-diisobutyl-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 14-methyl-13,17-bis(2-methylpropyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one, 2-methyl-3,11-bis(2-methylpropyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C21H25N5O |
|---|---|
| Molecular Weight | 363.21 g/mol |
| LogP | 3.91482 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.2059 |
| Heavy Atoms | 27 |
| Complexity | 1216.3971 |
Chemical Identifiers
| CAS Number | 840460-98-2 |
|---|---|
| SMILES | CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2CC(C)C)C(=O)N1CC(C)C |
Product Overview
AO-022/43454263 (CAS 840460-98-2), with molecular formula C21H25N5O and molecular weight 363.21 g/mol. IUPAC: 14-methyl-13,17-bis(2-methylpropyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of AO-022/43454263
Property Insights of AO-022/43454263
The XLogP value of 3.91482 indicates that AO-022/43454263 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454263. Following Lipinski's Rule of Five, AO-022/43454263 has 0 hydrogen bond donor(s) and 4 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-022/43454263?
The CAS number of AO-022/43454263 is 840460-98-2.
What is the molecular formula of AO-022/43454263?
The molecular formula of AO-022/43454263 is C21H25N5O.
What is the molecular weight of AO-022/43454263?
The molecular weight of AO-022/43454263 is 363.21 g/mol.
Where can I buy AO-022/43454263?
You can request a quote for AO-022/43454263 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454263?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454263 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.