CAS RN: 492439-46-0
1H-Pyrazole-1-carboximidamide,3-methyl-5-phenyl-(9CI)
- Product code: SSC-155614
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 | Shanghai | Inquiry |
492439-46-0 / 3-methyl-5-phenylpyrazole-1-carboximidamide
Basic Information
CAS
492439-46-0
Multi CAS
No
Molecular Formula
C11H12N4
Molecular Weight
200.240000
Exact Mass
200.106196
InChI
InChI=1S/C11H12N4/c1-8-7-10(15(14-8)11(12)13)9-5-3-2-4-6-9/h2-7H,1H3,(H3,12,13)
InChIKey
ASKLWRJQWICPMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.71
TPSA
67.69
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
1.7
Consensus LogP
1.57
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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