CAS RN: 1427063-32-8
(S)-4-(2,4-Dimethoxybenzyl)-3-methylpiperazin-2-one
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.20250606 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-053524
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1427063-32-8 / (3S)-4-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazin-2-one
Basic Information
CAS
1427063-32-8
Multi CAS
No
Molecular Formula
C14H20N2O3
Molecular Weight
264.320000
Exact Mass
264.147393
SMILES
C[C@H]1C(=O)NCCN1CC2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C14H20N2O3/c1-10-14(17)15-6-7-16(10)9-11-4-5-12(18-2)8-13(11)19-3/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,17)/t10-/m0/s1
InChIKey
VRRFLEAHVFVBIE-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.43
TPSA
50.8
LogP / Solubility
WLOGP
1.02
MLOGP
0.91
XLogP3
1.2
Consensus LogP
1.04
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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