CAS RN: 773109-75-4
2-Thiazoleacetic acid, 4,5-dihydro-4-oxo- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250123 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS773109-75-4
- Purity/Analytical Methods: >99.0%
773109-75-4 / 2-(4-oxo-1,3-thiazol-2-yl)acetic acid
Basic Information
CAS
773109-75-4
Multi CAS
No
Molecular Formula
C5H5NO3S
Molecular Weight
159.170000
Exact Mass
158.999014
InChI
InChI=1S/C5H5NO3S/c7-3-2-10-4(6-3)1-5(8)9/h1-2H2,(H,8,9)
InChIKey
VTAIZGFFPYGZBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
37.15
TPSA
66.73
LogP / Solubility
WLOGP
0.13
MLOGP
0.11
Consensus LogP
0.08
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.96
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.04
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)
-3.6
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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