![CAS 221137-44-6 [1-(2H-1,3-benzodioxol-5-yl)cyclopropyl]methanamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/221137-44-6.gif)
CAS RN: 221137-44-6
[1-(2H-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
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.20260128 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-106390
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 |
221137-44-6 / [1-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine
Basic Information
CAS
221137-44-6
Multi CAS
No
Molecular Formula
C11H13NO2
Molecular Weight
191.230000
Exact Mass
191.094629
SMILES
C1CC1(CN)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H13NO2/c12-6-11(3-4-11)8-1-2-9-10(5-8)14-7-13-9/h1-2,5H,3-4,6-7,12H2
InChIKey
WZJFNNGJVCPBTE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.53
TPSA
44.48
LogP / Solubility
WLOGP
1.41
MLOGP
1.24
XLogP3
1.5
Consensus LogP
1.38
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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