IFLab1_005223
TL;DR: IFLab1_005223 (CAS 537016-83-4) 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-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: IFLab1_005223, 6-(5-bromofuran-2-yl)-3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, BRD-K28046393-001-03-5, BRD-K28046393-001-07-6, 6-(5-bromanylfuran-2-yl)-3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C13H6BrClN4OS |
|---|---|
| Molecular Weight | 379.91 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.91342 |
| Heavy Atoms | 21 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 537016-83-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NN=C3N2N=C(S3)C4=CC=C(O4)Br)Cl |
| InChIKey | PHKYMQGLMUFKFZ-UHFFFAOYSA-N |
Product Overview
IFLab1_005223 (CAS 537016-83-4), with molecular formula C13H6BrClN4OS and molecular weight 379.91 g/mol. IUPAC: 6-(5-bromofuran-2-yl)-3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of IFLab1_005223
Property Insights of IFLab1_005223
The XLogP value of 4.3 indicates that IFLab1_005223 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005223. Following Lipinski's Rule of Five, IFLab1_005223 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 IFLab1_005223?
The CAS number of IFLab1_005223 is 537016-83-4.
What is the molecular formula of IFLab1_005223?
The molecular formula of IFLab1_005223 is C13H6BrClN4OS.
What is the molecular weight of IFLab1_005223?
The molecular weight of IFLab1_005223 is 379.91 g/mol.
Where can I buy IFLab1_005223?
You can request a quote for IFLab1_005223 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005223?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005223 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.