CAS RN: 196304-02-6
1H-Imidazole,1-methyl-5-(1-methylethyl)-(9CI)
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-092726
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Beijing | Inquiry |
196304-02-6 / 1-methyl-5-propan-2-ylimidazole
Basic Information
CAS
196304-02-6
Multi CAS
No
Molecular Formula
C7H12N2
Molecular Weight
124.180000
Exact Mass
124.100048
SMILES
CC(C)C1=CN=CN1C
InChI
InChI=1S/C7H12N2/c1-6(2)7-4-8-5-9(7)3/h4-6H,1-3H3
InChIKey
DBRBLARAXMEJES-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
37.3
TPSA
17.82
LogP / Solubility
WLOGP
1.54
MLOGP
1.35
XLogP3
1.2
Consensus LogP
1.36
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-2.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1H-Imidazole,4-(difluoromethyl)-1-methyl-(9CI)
- CAS RN: 196304-05-9
- Product Code: SSC-092727
-
1H-Imidazole,5-(difluoromethyl)-1-methyl-(9CI)
- CAS RN: 196304-06-0
- Product Code: SSC-092728
-
PAMP-12 (human, porcine)
- CAS RN: 196305-05-2
- Product Code: starshine_CAS196305-05-2
- Purity/Analytical method: >99.0%
-
-
3-(BICYCLO[2.2.1]HEPT-5-EN-2-YL)-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)PROPAN-2-OL
- CAS RN: 196314-61-1
- Product Code: SSC-092731
-
METHYL (2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-METHYLPYROGLUTAMATE
- CAS RN: 196394-49-7
- Product Code: SSC-092741
![CAS 196314-61-1 3-(BICYCLO[2.2.1]HEPT-5-EN-2-YL)-1,1,1-TRIFLUORO-2-(TRIFLUOROMETHYL)PROPAN-2-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/196314-61-1.gif)
