AO-022/43453388
TL;DR: AO-022/43453388 (CAS 896096-16-5) is a chemical compound with molecular formula C22H20BrN3O3S and molecular weight 485.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-8-(2,5-dimethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Also Known As: AO-022/43453388, 3-(4-bromophenyl)-8-(2,5-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(4-bromophenyl)-8-(2,5-dimethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(4-bromophenyl)-8-(2,5-dimethoxyphenyl)-6-oxo-2,3,4,6,7,8-hexahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile, 3-(4-BROMOPHENYL)-8-(2,5-DIMETHOXYPHENYL)-6-OXO-2H,3H,4H,6H,7H,8H-PYRIDO[2,1-B][1,3,5]THIADIAZINE-9-CARBONITRILE
| Molecular Formula | C22H20BrN3O3S |
|---|---|
| Molecular Weight | 485.04 g/mol |
| LogP | 4.68578 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.0409 |
| Heavy Atoms | 30 |
| Complexity | 1048.5835 |
Chemical Identifiers
| CAS Number | 896096-16-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)Br |
Product Overview
AO-022/43453388 (CAS 896096-16-5), with molecular formula C22H20BrN3O3S and molecular weight 485.04 g/mol. IUPAC: 3-(4-bromophenyl)-8-(2,5-dimethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile.
Chemical Property Profile of AO-022/43453388
Property Insights of AO-022/43453388
The XLogP value of 4.68578 indicates that AO-022/43453388 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-022/43453388. Following Lipinski's Rule of Five, AO-022/43453388 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-022/43453388?
The CAS number of AO-022/43453388 is 896096-16-5.
What is the molecular formula of AO-022/43453388?
The molecular formula of AO-022/43453388 is C22H20BrN3O3S.
What is the molecular weight of AO-022/43453388?
The molecular weight of AO-022/43453388 is 485.04 g/mol.
Where can I buy AO-022/43453388?
You can request a quote for AO-022/43453388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453388?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.