C13H6BrClN4OS
TL;DR: C13H6BrClN4OS (CAS 575459-20-0) is a chemical compound with molecular formula C13H6BrClN4OS and molecular weight 379.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-bromofuran-2-yl)-3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 6-(5-bromofuran-2-yl)-3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(5-bromo(2-furyl))-3-(3-chlorophenyl)-1,2,4-triazolo[3,4-b]1,3,4-thiadiazoli ne, 6-(5-bromofuran-2-yl)-3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C13H6BrClN4OS |
|---|---|
| Molecular Weight | 379.91 g/mol |
| LogP | 4.5287 |
| Topological Polar Surface Area | 56.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.91342 |
| Heavy Atoms | 21 |
| Complexity | 944.61383 |
Chemical Identifiers
| CAS Number | 575459-20-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NN=C3N2N=C(S3)C4=CC=C(O4)Br |
Product Overview
C13H6BrClN4OS (CAS 575459-20-0), with molecular formula C13H6BrClN4OS and molecular weight 379.91 g/mol. IUPAC: 6-(5-bromofuran-2-yl)-3-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of C13H6BrClN4OS
Property Insights of C13H6BrClN4OS
The XLogP value of 4.5287 indicates that C13H6BrClN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.22 Ų, C13H6BrClN4OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C13H6BrClN4OS has 0 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 C13H6BrClN4OS?
The CAS number of C13H6BrClN4OS is 575459-20-0.
What is the molecular formula of C13H6BrClN4OS?
The molecular formula of C13H6BrClN4OS is C13H6BrClN4OS.
What is the molecular weight of C13H6BrClN4OS?
The molecular weight of C13H6BrClN4OS is 379.91 g/mol.
Where can I buy C13H6BrClN4OS?
You can request a quote for C13H6BrClN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H6BrClN4OS?
Yes, KEHONG BIO provides custom synthesis services for C13H6BrClN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.