CAS RN: 474010-60-1
(R)-1-BENZOYL-3-METHYLPIPERAZINE HYDROCHLORIDE
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.20250531 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS474010-60-1
- Purity/Analytical Methods: >99.0%
474010-60-1 / (3-methylpiperazin-1-yl)-phenylmethanone;hydrochloride
Basic Information
CAS
474010-60-1
Multi CAS
Yes
Molecular Formula
C12H17CLN2O
Molecular Weight
240.730000
Exact Mass
240.102941
InChI
InChI=1S/C12H16N2O.ClH/c1-10-9-14(8-7-13-10)12(15)11-5-3-2-4-6-11;/h2-6,10,13H,7-9H2,1H3;1H
InChIKey
OMFYILLDCYROOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.06
TPSA
32.34
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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