AB00675639-01
TL;DR: AB00675639-01 (CAS 579441-56-8) is a chemical compound with molecular formula C17H9BrN4O3S and molecular weight 427.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-2-(2-bromophenyl)-5-[(2-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: AB00675639-01, (Z)-2-(2-bromophenyl)-5-(2-nitrobenzylidene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-(2-bromophenyl)-5-(2-nitrobenzylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-2-(2-bromophenyl)-5-[(2-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
| Molecular Formula | C17H9BrN4O3S |
|---|---|
| Molecular Weight | 427.96 g/mol |
| LogP | 3.0364 |
| Topological Polar Surface Area | 90.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.95786 |
| Heavy Atoms | 26 |
| Complexity | 1264.738 |
Chemical Identifiers
| CAS Number | 579441-56-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C\2/C(=O)N3C(=NC(=N3)C4=CC=CC=C4Br)S2)[N+](=O)[O-] |
Product Overview
AB00675639-01 (CAS 579441-56-8), with molecular formula C17H9BrN4O3S and molecular weight 427.96 g/mol. IUPAC: (5Z)-2-(2-bromophenyl)-5-[(2-nitrophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of AB00675639-01
Property Insights of AB00675639-01
The XLogP value of 3.0364 indicates that AB00675639-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.4 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675639-01. Following Lipinski's Rule of Five, AB00675639-01 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 AB00675639-01?
The CAS number of AB00675639-01 is 579441-56-8.
What is the molecular formula of AB00675639-01?
The molecular formula of AB00675639-01 is C17H9BrN4O3S.
What is the molecular weight of AB00675639-01?
The molecular weight of AB00675639-01 is 427.96 g/mol.
Where can I buy AB00675639-01?
You can request a quote for AB00675639-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675639-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675639-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.