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CAS 261763-42-2 Benzenemethanamine, 2,6-difluoro-3-methyl- (9CI) molecular structure lightbox
CAS RN: 261763-42-2

Benzenemethanamine, 2,6-difluoro-3-methyl- (9CI)

  • Product code: SSC-123239
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 261763-42-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

261763-42-2 / (2,6-difluoro-3-methylphenyl)methanamine

Standard CAS: 261763-42-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
261763-42-2
Multi CAS
No
Molecular Formula
C8H9F2N
Molecular Weight
157.160000
Exact Mass
157.070306
SMILES
CC1=C(C(=C(C=C1)F)CN)F
InChI
InChI=1S/C8H9F2N/c1-5-2-3-7(9)6(4-11)8(5)10/h2-3H,4,11H2,1H3
InChIKey
ARYISIHEKZVZMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.99
TPSA
26.02

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.3
Consensus LogP
1.52
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.45

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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