CAS RN: 916791-22-5
4-ChloroMethyl-N-(1H-pyrazol-4-yl)- benzaMide, 98+% C11H10ClN3O, MW: 235.67
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.20250716 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS916791-22-5
- Purity/Analytical Methods: >99.0%
916791-22-5 / 4-(chloromethyl)-N-(1H-pyrazol-4-yl)benzamide
Basic Information
CAS
916791-22-5
Multi CAS
No
Molecular Formula
C11H10CLN3O
Molecular Weight
235.670000
Exact Mass
235.051240
InChI
InChI=1S/C11H10ClN3O/c12-5-8-1-3-9(4-2-8)11(16)15-10-6-13-14-7-10/h1-4,6-7H,5H2,(H,13,14)(H,15,16)
InChIKey
AJZZOSSEFFZAMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
62.54
TPSA
57.78
LogP / Solubility
WLOGP
2.4
MLOGP
2.12
XLogP3
1.7
Consensus LogP
2.07
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45
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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