AO-022/43453242
TL;DR: AO-022/43453242 (CAS 896820-40-9) is a chemical compound with molecular formula C21H28N4O3 and molecular weight 384.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4,4-dimethyl-8-(2-methylpropyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]amino]propan-2-ol
Also Known As: AO-022/43453242, 1-((5-isobutyl-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)amino)propan-2-ol, 1-[(5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl)amino]-2-propanol, 1-[[4,4-Dimethyl-8-(2-methylpropyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]amino]propan-2-ol, 1-{[2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-8-yl]amino}propan-2-ol
| Molecular Formula | C21H28N4O3 |
|---|---|
| Molecular Weight | 384.22 g/mol |
| LogP | 3.6135 |
| Topological Polar Surface Area | 93.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.21616 |
| Heavy Atoms | 28 |
| Complexity | 1023.57587 |
Chemical Identifiers
| CAS Number | 896820-40-9 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(O2)C(=NC=N4)NCC(C)O |
Product Overview
AO-022/43453242 (CAS 896820-40-9), with molecular formula C21H28N4O3 and molecular weight 384.22 g/mol. IUPAC: 1-[[4,4-dimethyl-8-(2-methylpropyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]amino]propan-2-ol.
Chemical Property Profile of AO-022/43453242
Property Insights of AO-022/43453242
The XLogP value of 3.6135 indicates that AO-022/43453242 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453242. Following Lipinski's Rule of Five, AO-022/43453242 has 2 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-022/43453242?
The CAS number of AO-022/43453242 is 896820-40-9.
What is the molecular formula of AO-022/43453242?
The molecular formula of AO-022/43453242 is C21H28N4O3.
What is the molecular weight of AO-022/43453242?
The molecular weight of AO-022/43453242 is 384.22 g/mol.
Where can I buy AO-022/43453242?
You can request a quote for AO-022/43453242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453242?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.