CAS RN: 1185055-85-9
1-ACETYL-4-(4-HYDROXYPHENYL)PIPERAZINE-D8
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.20260522 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1185055-85-9
- Purity/Analytical Methods: >99.0%
1185055-85-9 / 1-[2,2,3,3,5,5,6,6-octadeuterio-4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
1-Acetyl-4-(4-hydroxyphenyl)piperazine-d8 | 1-[2,2,3,3,5,5,6,6-octadeuterio-4-(4-hydroxyphenyl)piperazin-1-yl]ethanone | 1-[4-(4-Hydroxyphenyl)-1-piperazinyl]ethanone-d8; 4-(4-Acetylpiperazino)phenol-d8; 1-Acetyl-4-(p-hydroxyphenyl)piperazine-d8;
Basic Information
CAS
1185055-85-9
Multi CAS
Yes
Molecular Formula
C12H16N2O2
Molecular Weight
228.320000
Exact Mass
228.171392
SMILES
[2H]C1(C(N(C(C(N1C2=CC=C(C=C2)O)([2H])[2H])([2H])[2H])C(=O)C)([2H])[2H])[2H]
InChI
InChI=1S/C12H16N2O2/c1-10(15)13-6-8-14(9-7-13)11-2-4-12(16)5-3-11/h2-5,16H,6-9H2,1H3/i6D2,7D2,8D2,9D2
InChIKey
AGVNLFCRZULMKK-COMRDEPKSA-N
Synonyms
1-Acetyl-4-(4-hydroxyphenyl)piperazine-d8
1-[2,2,3,3,5,5,6,6-octadeuterio-4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
1-[4-(4-Hydroxyphenyl)-1-piperazinyl]ethanone-d8; 4-(4-Acetylpiperazino)phenol-d8; 1-Acetyl-4-(p-hydroxyphenyl)piperazine-d8;
AB53674
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
62.57
TPSA
43.78
LogP / Solubility
WLOGP
1.06
MLOGP
0.94
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
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)
-3.31
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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