AO-022/43453322
TL;DR: AO-022/43453322 (CAS 844465-23-2) is a chemical compound with molecular formula C21H28N4O3S and molecular weight 416.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-dimethoxyethyl)-4,4-dimethyl-8-propan-2-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
Also Known As: AO-022/43453322, N-(2,2-dimethoxyethyl)-5-isopropyl-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine, N-(2,2-Dimethoxyethyl)-4,4-dimethyl-8-propan-2-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine, N-(2,2-dimethoxyethyl)-2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine, N-(2,2-dimethoxyethyl)-N-(5-isopropyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amine
| Molecular Formula | C21H28N4O3S |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | 4.245 |
| Topological Polar Surface Area | 78.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1882 |
| Heavy Atoms | 29 |
| Complexity | 1043.4999 |
Chemical Identifiers
| CAS Number | 844465-23-2 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)NCC(OC)OC |
Product Overview
AO-022/43453322 (CAS 844465-23-2), with molecular formula C21H28N4O3S and molecular weight 416.19 g/mol. IUPAC: N-(2,2-dimethoxyethyl)-4,4-dimethyl-8-propan-2-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine.
Chemical Property Profile of AO-022/43453322
Property Insights of AO-022/43453322
The XLogP value of 4.245 indicates that AO-022/43453322 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453322. Following Lipinski's Rule of Five, AO-022/43453322 has 1 hydrogen bond donor(s) and 8 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-022/43453322?
The CAS number of AO-022/43453322 is 844465-23-2.
What is the molecular formula of AO-022/43453322?
The molecular formula of AO-022/43453322 is C21H28N4O3S.
What is the molecular weight of AO-022/43453322?
The molecular weight of AO-022/43453322 is 416.19 g/mol.
Where can I buy AO-022/43453322?
You can request a quote for AO-022/43453322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453322?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.