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 |
1428443-87-1 / cyclobutyl(piperazin-1-yl)methanone;hydrochloride
Basic Information
CAS
1428443-87-1
Multi CAS
No
Molecular Formula
C9H17ClN2O
Molecular Weight
204.700000
Exact Mass
204.102941
SMILES
C1CC(C1)C(=O)N2CCNCC2.Cl
InChI
InChI=1S/C9H16N2O.ClH/c12-9(8-2-1-3-8)11-6-4-10-5-7-11;/h8,10H,1-7H2;1H
InChIKey
YKEJFACBGALXCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.04
TPSA
32.34
LogP / Solubility
WLOGP
0.64
MLOGP
0.56
XLogP3
0.64
Consensus LogP
0.61
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
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)
-3.51
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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