CAS RN: 393590-62-0
5-(benzyloxyMethyl)-1H-pyrazol-3-aMine
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.20250301 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS393590-62-0
- Purity/Analytical Methods: >99.0%
393590-62-0 / 5-(phenylmethoxymethyl)-1H-pyrazol-3-amine
Basic Information
CAS
393590-62-0
Multi CAS
Yes
Molecular Formula
C11H13N3O
Molecular Weight
203.240000
Exact Mass
203.105862
InChI
InChI=1S/C11H13N3O/c12-11-6-10(13-14-11)8-15-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H3,12,13,14)
InChIKey
YIBUHJHRURIGRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
57.94
TPSA
63.93
LogP / Solubility
WLOGP
1.71
MLOGP
1.5
XLogP3
1
Consensus LogP
1.4
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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