AO-022/43455048
TL;DR: AO-022/43455048 (CAS 896077-53-5) is a chemical compound with molecular formula C19H18N6O2S and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14,14-dimethyl-N-(pyridin-4-ylmethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide
Also Known As: AO-022/43455048, 10,10-dimethyl-N-(pyridin-4-ylmethyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide, 10,10-dimethyl-N-(4-pyridinylmethyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide, 14,14-Dimethyl-N-(pyridin-4-ylmethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide
| Molecular Formula | C19H18N6O2S |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 2.5153 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 394.1212 |
| Heavy Atoms | 28 |
| Complexity | 1197.5607 |
Chemical Identifiers
| CAS Number | 896077-53-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C4=NC(=NN4C=N3)C(=O)NCC5=CC=NC=C5)C |
Product Overview
AO-022/43455048 (CAS 896077-53-5), with molecular formula C19H18N6O2S and molecular weight 394.12 g/mol. IUPAC: 14,14-dimethyl-N-(pyridin-4-ylmethyl)-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide.
Chemical Property Profile of AO-022/43455048
Property Insights of AO-022/43455048
The XLogP value of 2.5153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43455048. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43455048. Following Lipinski's Rule of Five, AO-022/43455048 has 1 hydrogen bond donor(s) and 7 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-022/43455048?
The CAS number of AO-022/43455048 is 896077-53-5.
What is the molecular formula of AO-022/43455048?
The molecular formula of AO-022/43455048 is C19H18N6O2S.
What is the molecular weight of AO-022/43455048?
The molecular weight of AO-022/43455048 is 394.12 g/mol.
Where can I buy AO-022/43455048?
You can request a quote for AO-022/43455048 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43455048?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43455048 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.