AO-022/43452694
TL;DR: AO-022/43452694 (CAS 879563-18-5) is a chemical compound with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(3,4-dimethoxyphenyl)methyl]-9-(furan-2-yl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one
Also Known As: AO-022/43452694, 2-(3,4-dimethoxybenzyl)-12-(furan-2-yl)-9,10-dihydro-8H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11(12H)-one, 13-[(3,4-Dimethoxyphenyl)methyl]-9-(furan-2-yl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one, 2-(3,4-dimethoxybenzyl)-12-(2-furyl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one, 2-(3,4-dimethoxybenzyl)-12-(furan-2-yl)-8,9,10,12-tetrahydro-11H-chromeno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-11-one
| Molecular Formula | C25H22N4O5 |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 3.8567 |
| Topological Polar Surface Area | 100.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.15903 |
| Heavy Atoms | 34 |
| Complexity | 1437.2943 |
Chemical Identifiers
| CAS Number | 879563-18-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN3C=NC4=C(C3=N2)C(C5=C(O4)CCCC5=O)C6=CC=CO6)OC |
Product Overview
AO-022/43452694 (CAS 879563-18-5), with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol. IUPAC: 13-[(3,4-dimethoxyphenyl)methyl]-9-(furan-2-yl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),11,13,16-pentaen-7-one.
Chemical Property Profile of AO-022/43452694
Property Insights of AO-022/43452694
The XLogP value of 3.8567 indicates that AO-022/43452694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43452694. Following Lipinski's Rule of Five, AO-022/43452694 has 0 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-022/43452694?
The CAS number of AO-022/43452694 is 879563-18-5.
What is the molecular formula of AO-022/43452694?
The molecular formula of AO-022/43452694 is C25H22N4O5.
What is the molecular weight of AO-022/43452694?
The molecular weight of AO-022/43452694 is 458.16 g/mol.
Where can I buy AO-022/43452694?
You can request a quote for AO-022/43452694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43452694?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43452694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.