C18H12BrN3OS
TL;DR: C18H12BrN3OS (CAS 577697-38-2) is a chemical compound with molecular formula C18H12BrN3OS and molecular weight 396.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-bromophenyl)methylidene]-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Also Known As: (5Z)-5-(4-bromobenzylidene)-2-(2-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (Z)-5-(4-bromobenzylidene)-2-(o-tolyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, (5Z)-5-[(4-bromophenyl)methylidene]-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one, (5Z)-5-[(4-BROMOPHENYL)METHYLIDENE]-2-(2-METHYLPHENYL)-5H,6H-[1,2,4]TRIAZOLO[3,2-B][1,3]THIAZOL-6-ONE
| Molecular Formula | C18H12BrN3OS |
|---|---|
| Molecular Weight | 396.99 g/mol |
| LogP | 3.43662 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.98846 |
| Heavy Atoms | 24 |
| Complexity | 1145.4374 |
Chemical Identifiers
| CAS Number | 577697-38-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN3C(=O)/C(=C/C4=CC=C(C=C4)Br)/SC3=N2 |
Product Overview
C18H12BrN3OS (CAS 577697-38-2), with molecular formula C18H12BrN3OS and molecular weight 396.99 g/mol. IUPAC: (5Z)-5-[(4-bromophenyl)methylidene]-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
Chemical Property Profile of C18H12BrN3OS
Property Insights of C18H12BrN3OS
The XLogP value of 3.43662 indicates that C18H12BrN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, C18H12BrN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C18H12BrN3OS has 0 hydrogen bond donor(s) and 4 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 C18H12BrN3OS?
The CAS number of C18H12BrN3OS is 577697-38-2.
What is the molecular formula of C18H12BrN3OS?
The molecular formula of C18H12BrN3OS is C18H12BrN3OS.
What is the molecular weight of C18H12BrN3OS?
The molecular weight of C18H12BrN3OS is 396.99 g/mol.
Where can I buy C18H12BrN3OS?
You can request a quote for C18H12BrN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H12BrN3OS?
Yes, KEHONG BIO provides custom synthesis services for C18H12BrN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.