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CAS RN: 1993148-46-1
1-(3,5-DIMETHOXYPHENYL)PIPERAZINE hydrochloride
- Product code: SSC-093845
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1993148-46-1 / 1-(3,5-dimethoxyphenyl)piperazine;hydrochloride
Basic Information
CAS
1993148-46-1
Multi CAS
No
Molecular Formula
C12H19ClN2O2
Molecular Weight
258.740000
Exact Mass
258.113506
SMILES
COC1=CC(=CC(=C1)N2CCNCC2)OC.Cl
InChI
InChI=1S/C12H18N2O2.ClH/c1-15-11-7-10(8-12(9-11)16-2)14-5-3-13-4-6-14;/h7-9,13H,3-6H2,1-2H3;1H
InChIKey
QFOUOXHKUVDOSR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.88
TPSA
33.73
LogP / Solubility
WLOGP
1.54
MLOGP
1.36
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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