AB00564008-02
TL;DR: AB00564008-02 (CAS 1164558-49-9) is a chemical compound with molecular formula C17H17N3O3S2 and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
Also Known As: AB00564008-02, (Z)-6-(5-((1H-benzo[d]imidazol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)hexanoic acid, F3104-0166, 6-[(5Z)-5-[(1H-1,3-benzodiazol-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid, 6-[(5Z)-5-(1H-benzimidazol-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
| Molecular Formula | C17H17N3O3S2 |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 2.88109 |
| Topological Polar Surface Area | 87.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.07114 |
| Heavy Atoms | 25 |
| Complexity | 967.8759 |
Chemical Identifiers
| CAS Number | 1164558-49-9 |
|---|---|
| SMILES | C1=CC2=NC(=CC3=C(N(C(=S)S3)CCCCCC(=O)O)O)N=C2C=C1 |
Product Overview
AB00564008-02 (CAS 1164558-49-9), with molecular formula C17H17N3O3S2 and molecular weight 375.07 g/mol. IUPAC: 6-[5-(benzimidazol-2-ylidenemethyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid.
Chemical Property Profile of AB00564008-02
Property Insights of AB00564008-02
The XLogP value of 2.88109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00564008-02. The TPSA of 87.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00564008-02. Following Lipinski's Rule of Five, AB00564008-02 has 2 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 AB00564008-02?
The CAS number of AB00564008-02 is 1164558-49-9.
What is the molecular formula of AB00564008-02?
The molecular formula of AB00564008-02 is C17H17N3O3S2.
What is the molecular weight of AB00564008-02?
The molecular weight of AB00564008-02 is 375.07 g/mol.
Where can I buy AB00564008-02?
You can request a quote for AB00564008-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00564008-02?
Yes, KEHONG BIO provides custom synthesis services for AB00564008-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.