CAS RN: 120258-27-7
4-Bromo-2-ethylthiazole
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.20260530 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS120258-27-7
- Purity/Analytical Methods: >99.0%
120258-27-7 / 4-bromo-2-ethyl-1,3-thiazole
4-Bromo-2-ethylthiazole | 4-BROMO-2-ETHYL-THIAZOLE | 4-bromo-2-ethyl-1,3-thiazole
Basic Information
CAS
120258-27-7
Multi CAS
No
Molecular Formula
C5H6BrNS
Molecular Weight
192.080000
Exact Mass
190.940430
SMILES
CCC1=NC(=CS1)Br
InChI
InChI=1S/C5H6BrNS/c1-2-5-7-4(6)3-8-5/h3H,2H2,1H3
InChIKey
UGOTVBQVKYAZSV-UHFFFAOYSA-N
Synonyms
4-Bromo-2-ethylthiazole
4-BROMO-2-ETHYL-THIAZOLE
4-bromo-2-ethyl-1,3-thiazole
MFCD11223239
Thiazole, 4-bromo-2-ethyl-
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.19
TPSA
12.89
LogP / Solubility
WLOGP
2.47
MLOGP
2.17
XLogP3
2.8
Consensus LogP
2.48
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly 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)
-2.14
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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