AO-022/43453447
TL;DR: AO-022/43453447 (CAS 896091-84-2) is a chemical compound with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohexyl-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: AO-022/43453447, 3-cyclohexyl-8-(4-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, C499-0394, 3-cyclohexyl-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-cyclohexyl-8-(4-methoxyphenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
| Molecular Formula | C21H25N3O2S |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 4.04278 |
| Topological Polar Surface Area | 56.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.16675 |
| Heavy Atoms | 27 |
| Complexity | 777.61163 |
Chemical Identifiers
| CAS Number | 896091-84-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4CCCCC4 |
Product Overview
AO-022/43453447 (CAS 896091-84-2), with molecular formula C21H25N3O2S and molecular weight 383.17 g/mol. IUPAC: 3-cyclohexyl-8-(4-methoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of AO-022/43453447
Property Insights of AO-022/43453447
The XLogP value of 4.04278 indicates that AO-022/43453447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.57 Ų, AO-022/43453447 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-022/43453447 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-022/43453447?
The CAS number of AO-022/43453447 is 896091-84-2.
What is the molecular formula of AO-022/43453447?
The molecular formula of AO-022/43453447 is C21H25N3O2S.
What is the molecular weight of AO-022/43453447?
The molecular weight of AO-022/43453447 is 383.17 g/mol.
Where can I buy AO-022/43453447?
You can request a quote for AO-022/43453447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453447?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.