AB01317452-02
TL;DR: AB01317452-02 (CAS 690668-43-0) is a chemical compound with molecular formula C14H13NOS3 and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-2-prop-2-enylsulfanyl-1,3-thiazol-5-one
Also Known As: AB01317452-02, (4Z)-4-[(4-methylsulfanylphenyl)methylidene]-2-prop-2-enylsulfanyl-1,3-thiazol-5-one, 2-(allylthio)-4-[4-(methylthio)benzylidene]-1,3-thiazol-5(4H)-one, (4Z)-4-[4-(methylsulfanyl)benzylidene]-2-(prop-2-en-1-ylsulfanyl)-1,3-thiazol-5(4H)-one
| Molecular Formula | C14H13NOS3 |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 4.298 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.01593 |
| Heavy Atoms | 19 |
| Complexity | 546.31445 |
Chemical Identifiers
| CAS Number | 690668-43-0 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=C\2/C(=O)SC(=N2)SCC=C |
Product Overview
AB01317452-02 (CAS 690668-43-0), with molecular formula C14H13NOS3 and molecular weight 307.02 g/mol. IUPAC: (4Z)-4-[(4-methylsulfanylphenyl)methylidene]-2-prop-2-enylsulfanyl-1,3-thiazol-5-one.
Chemical Property Profile of AB01317452-02
Property Insights of AB01317452-02
The XLogP value of 4.298 indicates that AB01317452-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, AB01317452-02 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB01317452-02 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 AB01317452-02?
The CAS number of AB01317452-02 is 690668-43-0.
What is the molecular formula of AB01317452-02?
The molecular formula of AB01317452-02 is C14H13NOS3.
What is the molecular weight of AB01317452-02?
The molecular weight of AB01317452-02 is 307.02 g/mol.
Where can I buy AB01317452-02?
You can request a quote for AB01317452-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01317452-02?
Yes, KEHONG BIO provides custom synthesis services for AB01317452-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.