AO-081/41965579
TL;DR: AO-081/41965579 (CAS 370844-96-5) is a chemical compound with molecular formula C23H26N4OS and molecular weight 406.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-2-(4-benzylpiperazin-1-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazol-4-one
Also Known As: AO-081/41965579, (5E)-2-(4-benzylpiperazin-1-yl)-5-[(4-dimethylaminophenyl)methylidene]-1,3-thiazol-4-one, (5E)-2-(4-benzylpiperazin-1-yl)-5-[4-(dimethylamino)benzylidene]-1,3-thiazol-4(5H)-one, (E)-2-(4-benzylpiperazin-1-yl)-5-(4-(dimethylamino)benzylidene)thiazol-4(5H)-one, (5E)-2-(4-benzylpiperazin-1-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazol-4-one
| Molecular Formula | C23H26N4OS |
|---|---|
| Molecular Weight | 406.18 g/mol |
| LogP | 3.5407 |
| Topological Polar Surface Area | 39.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.18274 |
| Heavy Atoms | 29 |
| Complexity | 913.6538 |
Chemical Identifiers
| CAS Number | 370844-96-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N=C(S2)N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
AO-081/41965579 (CAS 370844-96-5), with molecular formula C23H26N4OS and molecular weight 406.18 g/mol. IUPAC: (5E)-2-(4-benzylpiperazin-1-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-1,3-thiazol-4-one.
Chemical Property Profile of AO-081/41965579
Property Insights of AO-081/41965579
The XLogP value of 3.5407 indicates that AO-081/41965579 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.15 Ų, AO-081/41965579 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/41965579 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-081/41965579?
The CAS number of AO-081/41965579 is 370844-96-5.
What is the molecular formula of AO-081/41965579?
The molecular formula of AO-081/41965579 is C23H26N4OS.
What is the molecular weight of AO-081/41965579?
The molecular weight of AO-081/41965579 is 406.18 g/mol.
Where can I buy AO-081/41965579?
You can request a quote for AO-081/41965579 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/41965579?
Yes, KEHONG BIO provides custom synthesis services for AO-081/41965579 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.