AO-022/43453339
TL;DR: AO-022/43453339 (CAS 896089-53-5) is a chemical compound with molecular formula C22H20FN3O3S and molecular weight 425.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2,3-dimethoxyphenyl)-3-(2-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: AO-022/43453339, 8-(2,3-dimethoxyphenyl)-3-(2-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(2,3-dimethoxyphenyl)-3-(2-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(2,3-dimethoxyphenyl)-3-(2-fluorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 8-(2,3-DIMETHOXYPHENYL)-3-(2-FLUOROPHENYL)-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE
| Molecular Formula | C22H20FN3O3S |
|---|---|
| Molecular Weight | 425.12 g/mol |
| LogP | 4.06238 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.12094 |
| Heavy Atoms | 30 |
| Complexity | 1065.8335 |
Chemical Identifiers
| CAS Number | 896089-53-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=CC=C4F |
Product Overview
AO-022/43453339 (CAS 896089-53-5), with molecular formula C22H20FN3O3S and molecular weight 425.12 g/mol. IUPAC: 8-(2,3-dimethoxyphenyl)-3-(2-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of AO-022/43453339
Property Insights of AO-022/43453339
The XLogP value of 4.06238 indicates that AO-022/43453339 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453339. Following Lipinski's Rule of Five, AO-022/43453339 has 0 hydrogen bond donor(s) and 6 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-022/43453339?
The CAS number of AO-022/43453339 is 896089-53-5.
What is the molecular formula of AO-022/43453339?
The molecular formula of AO-022/43453339 is C22H20FN3O3S.
What is the molecular weight of AO-022/43453339?
The molecular weight of AO-022/43453339 is 425.12 g/mol.
Where can I buy AO-022/43453339?
You can request a quote for AO-022/43453339 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453339?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453339 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.