AO-022/43390334
TL;DR: AO-022/43390334 (CAS 847161-01-7) is a chemical compound with molecular formula C24H21N5O3 and molecular weight 427.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(13-butan-2-yl-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-022/43390334, methyl 4-(3-sec-butyl-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl)benzoate, Methyl 4-(13-butan-2-yl-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-(sec-butyl)-4-oxo-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11(4H)-yl)benzoate, methyl 4-[3-(butan-2-yl)-4-oxo-3,4-dihydro-11H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-11-yl]benzoate
| Molecular Formula | C24H21N5O3 |
|---|---|
| Molecular Weight | 427.16 g/mol |
| LogP | 4.0412 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.16443 |
| Heavy Atoms | 32 |
| Complexity | 1550.1143 |
Chemical Identifiers
| CAS Number | 847161-01-7 |
|---|---|
| SMILES | CCC(C)N1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2C5=CC=C(C=C5)C(=O)OC |
Product Overview
AO-022/43390334 (CAS 847161-01-7), with molecular formula C24H21N5O3 and molecular weight 427.16 g/mol. IUPAC: methyl 4-(13-butan-2-yl-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-022/43390334
Property Insights of AO-022/43390334
The XLogP value of 4.0412 indicates that AO-022/43390334 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-022/43390334. Following Lipinski's Rule of Five, AO-022/43390334 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-022/43390334?
The CAS number of AO-022/43390334 is 847161-01-7.
What is the molecular formula of AO-022/43390334?
The molecular formula of AO-022/43390334 is C24H21N5O3.
What is the molecular weight of AO-022/43390334?
The molecular weight of AO-022/43390334 is 427.16 g/mol.
Where can I buy AO-022/43390334?
You can request a quote for AO-022/43390334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43390334?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43390334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.