CAS RN: 1086381-71-6
4-BroMo-2-hydroxythiazole
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.20251030 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1086381-71-6
- Purity/Analytical Methods: >99.0%
1086381-71-6 / 4-bromo-3H-1,3-thiazol-2-one
4-Bromothiazol-2-ol | 4-bromo-2-hydroxythiazole | 4-bromo-3H-1,3-thiazol-2-one
Basic Information
CAS
1086381-71-6
Multi CAS
Yes
Molecular Formula
C3H2BrNOS
Molecular Weight
180.030000
Exact Mass
178.904050
SMILES
C1=C(NC(=O)S1)Br
InChI
InChI=1S/C3H2BrNOS/c4-2-1-7-3(6)5-2/h1H,(H,5,6)
InChIKey
ARYKMMSOJGVGNL-UHFFFAOYSA-N
Synonyms
4-Bromothiazol-2-ol
4-bromo-2-hydroxythiazole
4-bromo-3H-1,3-thiazol-2-one
MFCD11223240
C3H2BrNOS
Computed Properties
Structural Parameters
Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
32.64
TPSA
32.86
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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