CAS RN: 85858-94-2
1-(4-HYDROXYBENZOYL)-4-METHYL-PIPERAZINE
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.20260509 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS85858-94-2
- Purity/Analytical Methods: >99.0%
85858-94-2 / (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
Basic Information
CAS
85858-94-2
Multi CAS
Yes
Molecular Formula
C12H16N2O2
Molecular Weight
220.270000
Exact Mass
220.121178
InChI
InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(15)5-3-10/h2-5,15H,6-9H2,1H3
InChIKey
NGNUDVSZXGEJKN-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
3
H-bond donors
1
Molar refractivity
61.51
TPSA
43.78
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
Consensus LogP
0.49
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-3.51
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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