Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl-
TL;DR: Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl- (CAS 91918-79-5) is a chemical compound with molecular formula C18H13N3O2S and molecular weight 335.07 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-methyl-6-phenylimidazo[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-methyl-6-phenyl-, 2-(1,3-Benzodioxol-5-yl)-5-methyl-6-phenylimidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole, 2-(2H-1,3-Benzodioxol-5-yl)-5-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole, RefChem:348691
| Molecular Formula | C18H13N3O2S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 4.16192 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.07285 |
| Heavy Atoms | 24 |
| Complexity | 1053.0094 |
Chemical Identifiers
| CAS Number | 91918-79-5 |
|---|---|
| SMILES | CC1=C(N=C2N1N=C(S2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 |
Product Overview
Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl- (CAS 91918-79-5), with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
Chemical Property Profile of Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl-
Property Insights of Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl-
The XLogP value of 4.16192 indicates that Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.65 Ų, Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl- 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 Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl-?
The CAS number of Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl- is 91918-79-5.
What is the molecular formula of Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl-?
The molecular formula of Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl- is C18H13N3O2S.
What is the molecular weight of Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl-?
The molecular weight of Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl- is 335.07 g/mol.
Where can I buy Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl-?
You can request a quote for Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Imidazo(2,1-b)-1,3,4-thiadiazole, 2-(1,3-benzodioxol-5-yl)-5-methyl-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.