CAS RN: 1567534-28-4
2-Cyano-3-(thiazol-2-yl)acrylic 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.20250224 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1567534-28-4
- Purity/Analytical Methods: >99.0%
1567534-28-4 / (E)-2-cyano-3-(1,3-thiazol-2-yl)prop-2-enoic acid
Basic Information
CAS
1567534-28-4
Multi CAS
No
Molecular Formula
C7H4N2O2S
Molecular Weight
180.190000
Exact Mass
179.999349
SMILES
C1=CSC(=N1)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C7H4N2O2S/c8-4-5(7(10)11)3-6-9-1-2-12-6/h1-3H,(H,10,11)/b5-3+
InChIKey
JAHDBRAKMOMJIV-HWKANZROSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.34
TPSA
73.98
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.01
Class (SILICOS-IT)
Moderately 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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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