AO-022/43453446
TL;DR: AO-022/43453446 (CAS 896091-02-4) is a chemical compound with molecular formula C21H18ClN3OS and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-8-(4-chlorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: AO-022/43453446, 3-benzyl-8-(4-chlorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-benzyl-8-(4-chlorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 9-benzyl-4-(4-chlorophenyl)-2-oxo-7-thia-1,9-diazabicyclo[4.4.0]dec-5-ene-5-carbonitrile, 3-benzyl-8-(4-chlorophenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
| Molecular Formula | C21H18ClN3OS |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 4.55508 |
| Topological Polar Surface Area | 47.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.0859 |
| Heavy Atoms | 27 |
| Complexity | 920.69293 |
Chemical Identifiers
| CAS Number | 896091-02-4 |
|---|---|
| SMILES | C1C(C(=C2N(C1=O)CN(CS2)CC3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl |
Product Overview
AO-022/43453446 (CAS 896091-02-4), with molecular formula C21H18ClN3OS and molecular weight 395.09 g/mol. IUPAC: 3-benzyl-8-(4-chlorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of AO-022/43453446
Property Insights of AO-022/43453446
The XLogP value of 4.55508 indicates that AO-022/43453446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.34 Ų, AO-022/43453446 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-022/43453446 has 0 hydrogen bond donor(s) and 4 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-022/43453446?
The CAS number of AO-022/43453446 is 896091-02-4.
What is the molecular formula of AO-022/43453446?
The molecular formula of AO-022/43453446 is C21H18ClN3OS.
What is the molecular weight of AO-022/43453446?
The molecular weight of AO-022/43453446 is 395.09 g/mol.
Where can I buy AO-022/43453446?
You can request a quote for AO-022/43453446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453446?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.