CAS RN: 84547-63-7
5-Chloromethyl-1-methylpyrazole
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.20250918 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS84547-63-7
- Purity/Analytical Methods: >99.0%
84547-63-7 / 5-(chloromethyl)-1-methylpyrazole
Basic Information
CAS
84547-63-7
Multi CAS
Yes
Molecular Formula
C5H7CLN2
Molecular Weight
130.570000
Exact Mass
130.029776
InChI
InChI=1S/C5H7ClN2/c1-8-5(4-6)2-3-7-8/h2-3H,4H2,1H3
InChIKey
DMALVWVARIVUJD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
32.76
TPSA
17.82
LogP / Solubility
WLOGP
1.16
MLOGP
1.01
XLogP3
0.7
Consensus LogP
0.96
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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