AO-022/43455211
TL;DR: AO-022/43455211 (CAS 896839-94-4) is a chemical compound with molecular formula C18H20ClN3O2 and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-chloro-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-hexaene
Also Known As: AO-022/43455211, 8-chloro-2,2-dimethyl-5-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine, 8-chloro-5-isobutyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine, 8-chloro-5-isobutyl-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
| Molecular Formula | C18H20ClN3O2 |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 4.4742 |
| Topological Polar Surface Area | 61.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.1244 |
| Heavy Atoms | 24 |
| Complexity | 946.47766 |
Chemical Identifiers
| CAS Number | 896839-94-4 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(O2)C(=NC=N4)Cl |
Product Overview
AO-022/43455211 (CAS 896839-94-4), with molecular formula C18H20ClN3O2 and molecular weight 345.12 g/mol. IUPAC: 13-chloro-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-hexaene.
Chemical Property Profile of AO-022/43455211
Property Insights of AO-022/43455211
The XLogP value of 4.4742 indicates that AO-022/43455211 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43455211. Following Lipinski's Rule of Five, AO-022/43455211 has 0 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-022/43455211?
The CAS number of AO-022/43455211 is 896839-94-4.
What is the molecular formula of AO-022/43455211?
The molecular formula of AO-022/43455211 is C18H20ClN3O2.
What is the molecular weight of AO-022/43455211?
The molecular weight of AO-022/43455211 is 345.12 g/mol.
Where can I buy AO-022/43455211?
You can request a quote for AO-022/43455211 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43455211?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43455211 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.