RefChem:348689
TL;DR: RefChem:348689 (CAS 91918-81-9) is a chemical compound with molecular formula C17H9Br2N3O2S and molecular weight 476.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Also Known As: Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)-, 2-(1,3-Benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole, 2-(2H-1,3-Benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole, Imidazo[2,1-b]-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)-
| Molecular Formula | C17H9Br2N3O2S |
|---|---|
| Molecular Weight | 476.88 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 476.87823 |
| Heavy Atoms | 25 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 91918-81-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN4C(=C(N=C4S3)C5=CC=C(C=C5)Br)Br |
| InChIKey | LCVXIURJOWBSGK-UHFFFAOYSA-N |
Product Overview
RefChem:348689 (CAS 91918-81-9), with molecular formula C17H9Br2N3O2S and molecular weight 476.88 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5-bromo-6-(4-bromophenyl)imidazo[2,1-b][1,3,4]thiadiazole.
Chemical Property Profile of RefChem:348689
Property Insights of RefChem:348689
The XLogP value of 5.7 indicates that RefChem:348689 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:348689. Following Lipinski's Rule of Five, RefChem:348689 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:348689?
The CAS number of RefChem:348689 is 91918-81-9.
What is the molecular formula of RefChem:348689?
The molecular formula of RefChem:348689 is C17H9Br2N3O2S.
What is the molecular weight of RefChem:348689?
The molecular weight of RefChem:348689 is 476.88 g/mol.
Where can I buy RefChem:348689?
You can request a quote for RefChem:348689 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:348689?
Yes, KEHONG BIO provides custom synthesis services for RefChem:348689 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.