IFLab1_004961
TL;DR: IFLab1_004961 (CAS 537017-19-9) is a chemical compound with molecular formula C14H9BrN4O2S and molecular weight 375.96 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-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: IFLab1_004961, 6-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AB00685769-01, F1219-1606, 1-[6-(5-bromo(2-furyl))(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-3-yl)]-4-metho xybenzene
| Molecular Formula | C14H9BrN4O2S |
|---|---|
| Molecular Weight | 375.96 g/mol |
| LogP | 3.8839 |
| Topological Polar Surface Area | 65.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.96295 |
| Heavy Atoms | 22 |
| Complexity | 941.4823 |
Chemical Identifiers
| CAS Number | 537017-19-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C3N2N=C(S3)C4=CC=C(O4)Br |
Product Overview
IFLab1_004961 (CAS 537017-19-9), with molecular formula C14H9BrN4O2S and molecular weight 375.96 g/mol. IUPAC: 6-(5-bromofuran-2-yl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of IFLab1_004961
Property Insights of IFLab1_004961
The XLogP value of 3.8839 indicates that IFLab1_004961 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.45 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004961. Following Lipinski's Rule of Five, IFLab1_004961 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 IFLab1_004961?
The CAS number of IFLab1_004961 is 537017-19-9.
What is the molecular formula of IFLab1_004961?
The molecular formula of IFLab1_004961 is C14H9BrN4O2S.
What is the molecular weight of IFLab1_004961?
The molecular weight of IFLab1_004961 is 375.96 g/mol.
Where can I buy IFLab1_004961?
You can request a quote for IFLab1_004961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004961?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.