AO-022/43455114
TL;DR: AO-022/43455114 (CAS 896815-80-8) is a chemical compound with molecular formula C17H18ClN3O2 and molecular weight 331.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-chloro-4,4-dimethyl-8-propan-2-yl-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-022/43455114, 8-chloro-2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine, 8-chloro-5-isopropyl-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-isopropyl-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
| Molecular Formula | C17H18ClN3O2 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 4.3991 |
| Topological Polar Surface Area | 61.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.10876 |
| Heavy Atoms | 23 |
| Complexity | 930.6193 |
Chemical Identifiers
| CAS Number | 896815-80-8 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1COC(C3)(C)C)C4=C(O2)C(=NC=N4)Cl |
Product Overview
AO-022/43455114 (CAS 896815-80-8), with molecular formula C17H18ClN3O2 and molecular weight 331.11 g/mol. IUPAC: 13-chloro-4,4-dimethyl-8-propan-2-yl-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-022/43455114
Property Insights of AO-022/43455114
The XLogP value of 4.3991 indicates that AO-022/43455114 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-022/43455114. Following Lipinski's Rule of Five, AO-022/43455114 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-022/43455114?
The CAS number of AO-022/43455114 is 896815-80-8.
What is the molecular formula of AO-022/43455114?
The molecular formula of AO-022/43455114 is C17H18ClN3O2.
What is the molecular weight of AO-022/43455114?
The molecular weight of AO-022/43455114 is 331.11 g/mol.
Where can I buy AO-022/43455114?
You can request a quote for AO-022/43455114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43455114?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43455114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.