CAS RN: 4651-94-9
2-amino-4,5-dimethyl-thiophene-3-carbonitrile
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-153883
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 1g, 0.1g, 5g, 10g
- Available purity: ≥98%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥98% | 3 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | ≥98% | 2 In Stock | Shenzhen | Inquiry |
| 5g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
| 10g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
4651-94-9 / 2-amino-4,5-dimethylthiophene-3-carbonitrile
Basic Information
CAS
4651-94-9
Multi CAS
Yes
Molecular Formula
C7H8N2S
Molecular Weight
152.220000
Exact Mass
152.040819
InChI
InChI=1S/C7H8N2S/c1-4-5(2)10-7(9)6(4)3-8/h9H2,1-2H3
InChIKey
DTDMOFLHHZZNFB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.29
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.92
TPSA
49.81
LogP / Solubility
WLOGP
1.82
MLOGP
1.59
XLogP3
2.3
Consensus LogP
1.9
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.36
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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