CAS RN: 1227610-42-5
(2S)-1-Cyclobutyl-2-methylpiperazine dihydrochloride
- Product code: SSC-026227
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 | Shenzhen | Inquiry |
1227610-42-5 / (2S)-1-cyclobutyl-2-methylpiperazine;dihydrochloride
Basic Information
CAS
1227610-42-5
Multi CAS
No
Molecular Formula
C9H20Cl2N2
Molecular Weight
227.170000
Exact Mass
226.100354
SMILES
C[C@H]1CNCCN1C2CCC2.Cl.Cl
InChI
InChI=1S/C9H18N2.2ClH/c1-8-7-10-5-6-11(8)9-3-2-4-9;;/h8-10H,2-7H2,1H3;2*1H/t8-;;/m0../s1
InChIKey
ROUKMLQHHLVWOM-JZGIKJSDSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.17
TPSA
15.27
LogP / Solubility
WLOGP
1.68
MLOGP
1.48
XLogP3
1.68
Consensus LogP
1.61
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.65
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)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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