![CAS 1049780-58-6 2-([1,1′-Biphenyl]-4-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1049780-58-6.png)
CAS RN: 1049780-58-6
2-([1,1′-Biphenyl]-4-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250921 | 1mg / 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB899636
1049780-58-6 / 2-(4-phenylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
Auten-99 | Auten-99 HBr | 2-([1,1'-Biphenyl]-4-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
Basic Information
CAS
1049780-58-6
Multi CAS
No
Molecular Formula
C17H15BrN2S
Molecular Weight
359.300000
Exact Mass
358.013930
SMILES
C1CN2C=C(SC2=N1)C3=CC=C(C=C3)C4=CC=CC=C4.Br
InChI
InChI=1S/C17H14N2S.BrH/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)16-12-19-11-10-18-17(19)20-16;/h1-9,12H,10-11H2;1H
InChIKey
FYYVGPJPIJHFCL-UHFFFAOYSA-N
Synonyms
Auten-99
Auten-99 HBr
2-([1,1'-Biphenyl]-4-yl)-5,6-dihydroimidazo[2,1-b]thiazole hydrobromide
AUTEN-99 (hydrobromide)
2-(4-phenylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrobromide
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
96.78
TPSA
15.6
LogP / Solubility
WLOGP
4.65
MLOGP
4.11
XLogP3
4.65
Consensus LogP
4.47
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
