![CAS 296276-42-1 N-[4-(DIFLUOROMETHOXY)BENZYL]-N-METHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/296276-42-1.png)
CAS RN: 296276-42-1
N-[4-(DIFLUOROMETHOXY)BENZYL]-N-METHYLAMINE
- Product code: SSC-132641
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
296276-42-1 / 1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
Basic Information
CAS
296276-42-1
Multi CAS
No
Molecular Formula
C9F2H11NO
Molecular Weight
187.190000
Exact Mass
187.080870
InChI
InChI=1S/C9H11F2NO/c1-12-6-7-2-4-8(5-3-7)13-9(10)11/h2-5,9,12H,6H2,1H3
InChIKey
OZLPONSQVQLJSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.84
TPSA
21.26
LogP / Solubility
WLOGP
2.01
MLOGP
1.76
XLogP3
2.2
Consensus LogP
1.99
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.44
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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