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CAS 906645-41-8 N-Methyl-2,3-difluorobenzylaMine molecular structure lightbox
CAS RN: 906645-41-8

N-Methyl-2,3-difluorobenzylaMine

  • Product code: SSC-203223
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 906645-41-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 4 In Stock Beijing Inquiry
0.1g ≥97% 0 Out of Stock Shanghai Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

906645-41-8 / 1-(2,3-difluorophenyl)-N-methylmethanamine

Standard CAS: 906645-41-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
906645-41-8
Multi CAS
No
Molecular Formula
C8F2H9N
Molecular Weight
157.160000
Exact Mass
157.070306
InChI
InChI=1S/C8H9F2N/c1-11-5-6-3-2-4-7(9)8(6)10/h2-4,11H,5H2,1H3
InChIKey
RUNAPHQFPYXGCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.12
TPSA
12.03

LogP / Solubility

WLOGP
1.68
MLOGP
1.48
XLogP3
1.5
Consensus LogP
1.55
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.48

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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