C18H11BrN6S
TL;DR: C18H11BrN6S (CAS 1037569-80-4) is a chemical compound with molecular formula C18H11BrN6S and molecular weight 421.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-bromophenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 6-(4-bromophenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-bromophenyl)-3-(3-phenyl-1H-pyrazol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-bromophenyl)-3-(3-phenylpyrazol-5-yl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiaz oline, 5-[6-(4-bromophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-phenyl-1H-pyrazole, C18H11BrN6S
| Molecular Formula | C18H11BrN6S |
|---|---|
| Molecular Weight | 421.99 g/mol |
| LogP | 4.6724 |
| Topological Polar Surface Area | 71.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.99493 |
| Heavy Atoms | 26 |
| Complexity | 1189.6306 |
Chemical Identifiers
| CAS Number | 1037569-80-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C4N3N=C(S4)C5=CC=C(C=C5)Br |
Product Overview
C18H11BrN6S (CAS 1037569-80-4), with molecular formula C18H11BrN6S and molecular weight 421.99 g/mol. IUPAC: 6-(4-bromophenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of C18H11BrN6S
Property Insights of C18H11BrN6S
The XLogP value of 4.6724 indicates that C18H11BrN6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.76 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H11BrN6S. Following Lipinski's Rule of Five, C18H11BrN6S has 1 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 C18H11BrN6S?
The CAS number of C18H11BrN6S is 1037569-80-4.
What is the molecular formula of C18H11BrN6S?
The molecular formula of C18H11BrN6S is C18H11BrN6S.
What is the molecular weight of C18H11BrN6S?
The molecular weight of C18H11BrN6S is 421.99 g/mol.
Where can I buy C18H11BrN6S?
You can request a quote for C18H11BrN6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H11BrN6S?
Yes, KEHONG BIO provides custom synthesis services for C18H11BrN6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.