CAS RN: 918487-09-9
4-Iodo-1-isobutyl-1H-pyrazole
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.20250512 | 1g / 5g / 10g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-205306
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: 5g, 25g
- 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.
918487-09-9 / 4-iodo-1-(2-methylpropyl)pyrazole
Basic Information
CAS
918487-09-9
Multi CAS
No
Molecular Formula
C7H11In2
Molecular Weight
250.080000
Exact Mass
249.996700
InChI
InChI=1S/C7H11IN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3
InChIKey
PTARWFPVOYNYPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
49.78
TPSA
17.82
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
2.1
Consensus LogP
2.04
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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