CAS RN: 1028352-85-3
(4-Cyclopropyl-1,3-thiazol-2-yl)acetonitrile
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.20250807 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-004182
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1028352-85-3 / 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile
2-(4-Cyclopropylthiazol-2-yl)acetonitrile | 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile | (4-Cyclopropyl-1,3-thiazol-2-yl)acetonitrile
Basic Information
CAS
1028352-85-3
Multi CAS
No
Molecular Formula
C8H8N2S
Molecular Weight
164.230000
Exact Mass
164.040819
SMILES
C1CC1C2=CSC(=N2)CC#N
InChI
InChI=1S/C8H8N2S/c9-4-3-8-10-7(5-11-8)6-1-2-6/h5-6H,1-3H2
InChIKey
GXBUEZZXMVHABW-UHFFFAOYSA-N
Synonyms
2-(4-Cyclopropylthiazol-2-yl)acetonitrile
2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile
(4-Cyclopropyl-1,3-thiazol-2-yl)acetonitrile
MFCD19596754
SCHEMBL14920524
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.41
TPSA
36.68
LogP / Solubility
WLOGP
2.09
MLOGP
1.83
XLogP3
1.2
Consensus LogP
1.71
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.24
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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