AB00095786-01
TL;DR: AB00095786-01 (CAS 304889-88-1) is a chemical compound with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-hydroxyphenyl)methylidene]-2-[4-(4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one
Also Known As: AB00095786-01, (5Z)-5-[(2-hydroxyphenyl)methylidene]-2-[4-(4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one, (Z)-5-(2-hydroxybenzylidene)-2-(4-(p-tolyl)piperazin-1-yl)thiazol-4(5H)-one, 5-(2-hydroxybenzylidene)-2-[4-(4-methylphenyl)-1-piperazinyl]-1,3-thiazol-4(5h)-one
| Molecular Formula | C21H21N3O2S |
|---|---|
| Molecular Weight | 379.14 g/mol |
| LogP | 3.49312 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.13544 |
| Heavy Atoms | 27 |
| Complexity | 913.2789 |
Chemical Identifiers
| CAS Number | 304889-88-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CCN(CC2)C3=NC(=O)/C(=C/C4=CC=CC=C4O)/S3 |
Product Overview
AB00095786-01 (CAS 304889-88-1), with molecular formula C21H21N3O2S and molecular weight 379.14 g/mol. IUPAC: (5Z)-5-[(2-hydroxyphenyl)methylidene]-2-[4-(4-methylphenyl)piperazin-1-yl]-1,3-thiazol-4-one.
Chemical Property Profile of AB00095786-01
Property Insights of AB00095786-01
The XLogP value of 3.49312 indicates that AB00095786-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.14 Ų, AB00095786-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00095786-01 has 1 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 AB00095786-01?
The CAS number of AB00095786-01 is 304889-88-1.
What is the molecular formula of AB00095786-01?
The molecular formula of AB00095786-01 is C21H21N3O2S.
What is the molecular weight of AB00095786-01?
The molecular weight of AB00095786-01 is 379.14 g/mol.
Where can I buy AB00095786-01?
You can request a quote for AB00095786-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00095786-01?
Yes, KEHONG BIO provides custom synthesis services for AB00095786-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.