CAS RN: 125483-57-0
benzyl 1-aMinocyclobutanecarboxylate
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.20250609 | 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-030214
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 | Hong Kong | Inquiry |
125483-57-0 / benzyl 1-aminocyclobutane-1-carboxylate;4-methylbenzenesulfonic acid
Basic Information
CAS
125483-57-0
Multi CAS
No
Molecular Formula
C19H23NO5S
Molecular Weight
377.500000
Exact Mass
377.129694
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(C1)(C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C12H15NO2.C7H8O3S/c13-12(7-4-8-12)11(14)15-9-10-5-2-1-3-6-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6H,4,7-9,13H2;2-5H,1H3,(H,8,9,10)
InChIKey
VMURDJGCQYSKKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
98
TPSA
106.69
LogP / Solubility
WLOGP
2.85
MLOGP
2.53
XLogP3
2.85
Consensus LogP
2.74
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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