AO-022/43453239
TL;DR: AO-022/43453239 (CAS 844456-89-9) is a chemical compound with molecular formula C22H17ClFN5O and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-butan-2-yl-17-(3-chloro-4-fluorophenyl)-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-022/43453239, 3-(sec-butyl)-11-(3-chloro-4-fluorophenyl)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 13-Butan-2-yl-17-(3-chloro-4-fluorophenyl)-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, 3-sec-butyl-11-(3-chloro-4-fluorophenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one, 3-(butan-2-yl)-11-(3-chloro-4-fluorophenyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C22H17ClFN5O |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 5.0471 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.11057 |
| Heavy Atoms | 30 |
| Complexity | 1507.0481 |
Chemical Identifiers
| CAS Number | 844456-89-9 |
|---|---|
| SMILES | CCC(C)N1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC(=C(C=C5)F)Cl |
Product Overview
AO-022/43453239 (CAS 844456-89-9), with molecular formula C22H17ClFN5O and molecular weight 421.11 g/mol. IUPAC: 13-butan-2-yl-17-(3-chloro-4-fluorophenyl)-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-022/43453239
Property Insights of AO-022/43453239
The XLogP value of 5.0471 indicates that AO-022/43453239 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-022/43453239. Following Lipinski's Rule of Five, AO-022/43453239 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-022/43453239?
The CAS number of AO-022/43453239 is 844456-89-9.
What is the molecular formula of AO-022/43453239?
The molecular formula of AO-022/43453239 is C22H17ClFN5O.
What is the molecular weight of AO-022/43453239?
The molecular weight of AO-022/43453239 is 421.11 g/mol.
Where can I buy AO-022/43453239?
You can request a quote for AO-022/43453239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453239?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.