AO-022/43453247
TL;DR: AO-022/43453247 (CAS 896830-95-8) is a chemical compound with molecular formula C21H17Cl2N3O3 and molecular weight 429.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-[(2,6-dichlorophenyl)methyl]-5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-15-one
Also Known As: AO-022/43453247, 3-(2,6-dichlorobenzyl)-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4(3H)-one, 3-(2,6-dichlorobenzyl)-8,8-dimethyl-7,8-dihydro-3H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidin-4(10H)-one, 14-[(2,6-Dichlorophenyl)methyl]-5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-15-one
| Molecular Formula | C21H17Cl2N3O3 |
|---|---|
| Molecular Weight | 429.06 g/mol |
| LogP | 4.7441 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.0647 |
| Heavy Atoms | 29 |
| Complexity | 1320.5005 |
Chemical Identifiers
| CAS Number | 896830-95-8 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(O3)C(=O)N(C=N4)CC5=C(C=CC=C5Cl)Cl)C |
Product Overview
AO-022/43453247 (CAS 896830-95-8), with molecular formula C21H17Cl2N3O3 and molecular weight 429.06 g/mol. IUPAC: 14-[(2,6-dichlorophenyl)methyl]-5,5-dimethyl-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-15-one.
Chemical Property Profile of AO-022/43453247
Property Insights of AO-022/43453247
The XLogP value of 4.7441 indicates that AO-022/43453247 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453247. Following Lipinski's Rule of Five, AO-022/43453247 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-022/43453247?
The CAS number of AO-022/43453247 is 896830-95-8.
What is the molecular formula of AO-022/43453247?
The molecular formula of AO-022/43453247 is C21H17Cl2N3O3.
What is the molecular weight of AO-022/43453247?
The molecular weight of AO-022/43453247 is 429.06 g/mol.
Where can I buy AO-022/43453247?
You can request a quote for AO-022/43453247 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453247?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453247 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.