AO-022/43453300
TL;DR: AO-022/43453300 (CAS 797772-40-8) is a chemical compound with molecular formula C21H18ClFN4O2 and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-amino-1-(3-chloro-4-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Also Known As: AO-022/43453300, butyl 2-amino-1-(3-chloro-4-fluorophenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate, butyl 2-amino-1-(3-chloro-4-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
| Molecular Formula | C21H18ClFN4O2 |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 4.9053 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.11023 |
| Heavy Atoms | 29 |
| Complexity | 1238.5371 |
Chemical Identifiers
| CAS Number | 797772-40-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)F)Cl)N |
Product Overview
AO-022/43453300 (CAS 797772-40-8), with molecular formula C21H18ClFN4O2 and molecular weight 412.11 g/mol. IUPAC: butyl 2-amino-1-(3-chloro-4-fluorophenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
Chemical Property Profile of AO-022/43453300
Property Insights of AO-022/43453300
The XLogP value of 4.9053 indicates that AO-022/43453300 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453300. Following Lipinski's Rule of Five, AO-022/43453300 has 1 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-022/43453300?
The CAS number of AO-022/43453300 is 797772-40-8.
What is the molecular formula of AO-022/43453300?
The molecular formula of AO-022/43453300 is C21H18ClFN4O2.
What is the molecular weight of AO-022/43453300?
The molecular weight of AO-022/43453300 is 412.11 g/mol.
Where can I buy AO-022/43453300?
You can request a quote for AO-022/43453300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453300?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.