CAS RN: 531508-46-0
4-AMinoMethyl-2,2-difluor…
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.20260305 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-160353
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: 0.1g, 0.25g, 1g, 5g
- 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.
531508-46-0 / (2,2-difluoro-1,3-benzodioxol-4-yl)methanamine
Basic Information
CAS
531508-46-0
Multi CAS
No
Molecular Formula
C8F2H7NO2
Molecular Weight
187.140000
Exact Mass
187.044485
InChI
InChI=1S/C8H7F2NO2/c9-8(10)12-6-3-1-2-5(4-11)7(6)13-8/h1-3H,4,11H2
InChIKey
LZUWIFLVQKZUOO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.54
TPSA
44.48
LogP / Solubility
WLOGP
1.47
MLOGP
1.29
XLogP3
1.4
Consensus LogP
1.39
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.82
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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