Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1175036-51-7 / 4-piperazin-1-ylphenol;hydrochloride
4-(Piperazin-1-yl)phenol hydrochloride | 1-(4-HYDROXYPHENYL)PIPERAZINE HYDROCHLORIDE | 4-(Piperazin-1-yl)phenol HCl
Basic Information
CAS
1175036-51-7
Multi CAS
No
Molecular Formula
C10H15ClN2O
Molecular Weight
214.690000
Exact Mass
214.087291
SMILES
C1CN(CCN1)C2=CC=C(C=C2)O.Cl
InChI
InChI=1S/C10H14N2O.ClH/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12;/h1-4,11,13H,5-8H2;1H
InChIKey
HOQZYXZHPXPKCX-UHFFFAOYSA-N
Synonyms
4-(Piperazin-1-yl)phenol hydrochloride
1-(4-HYDROXYPHENYL)PIPERAZINE HYDROCHLORIDE
4-(Piperazin-1-yl)phenol HCl
4-piperazin-1-ylphenol;hydrochloride
MFCD08059228
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.44
TPSA
35.5
LogP / Solubility
WLOGP
1.22
MLOGP
1.08
XLogP3
1.22
Consensus LogP
1.17
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-3.16
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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