CAS RN: 202408-30-8
(2-Acetylamino-thiazol-4-yl)-acetic acid
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.20250223 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS202408-30-8
- Purity/Analytical Methods: >99.0%
202408-30-8 / 2-(2-acetamido-1,3-thiazol-4-yl)acetic acid
Basic Information
CAS
202408-30-8
Multi CAS
No
Molecular Formula
C7H8N2O3S
Molecular Weight
200.220000
Exact Mass
200.025563
SMILES
CC(=O)NC1=NC(=CS1)CC(=O)O
InChI
InChI=1S/C7H8N2O3S/c1-4(10)8-7-9-5(3-13-7)2-6(11)12/h3H,2H2,1H3,(H,11,12)(H,8,9,10)
InChIKey
KCOJFJKNUZUGHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
47.76
TPSA
79.29
LogP / Solubility
WLOGP
0.73
MLOGP
0.64
Consensus LogP
0.46
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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