AB00686045-01
TL;DR: AB00686045-01 (CAS 606954-10-3) is a chemical compound with molecular formula C17H12N4O2S and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: AB00686045-01, (Z)-5-(4-methoxybenzylidene)-2-(pyridin-4-yl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, F1425-0731, (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-5-(4-methoxybenzylidene)-2-(pyridin-4-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
| Molecular Formula | C17H12N4O2S |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 1.7693 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 336.06808 |
| Heavy Atoms | 24 |
| Complexity | 1101.4119 |
Chemical Identifiers
| CAS Number | 606954-10-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=NC=C4)S2 |
Product Overview
AB00686045-01 (CAS 606954-10-3), with molecular formula C17H12N4O2S and molecular weight 336.07 g/mol. IUPAC: (5Z)-5-[(4-methoxyphenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of AB00686045-01
Property Insights of AB00686045-01
The XLogP value of 1.7693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00686045-01. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686045-01. Following Lipinski's Rule of Five, AB00686045-01 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 AB00686045-01?
The CAS number of AB00686045-01 is 606954-10-3.
What is the molecular formula of AB00686045-01?
The molecular formula of AB00686045-01 is C17H12N4O2S.
What is the molecular weight of AB00686045-01?
The molecular weight of AB00686045-01 is 336.07 g/mol.
Where can I buy AB00686045-01?
You can request a quote for AB00686045-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686045-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686045-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.