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CAS 1255306-24-1 1-(2,3-DIFLUOROPHENYL)PROPAN-1-AMINE molecular structure lightbox
CAS RN: 1255306-24-1

1-(2,3-DIFLUOROPHENYL)PROPAN-1-AMINE

  • Product code: SSC-030267
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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 1255306-24-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1255306-24-1 / 1-(2,3-difluorophenyl)propan-1-amine

Standard CAS: 1255306-24-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1255306-24-1
Multi CAS
No
Molecular Formula
C9H11F2N
Molecular Weight
171.190000
Exact Mass
171.085956
SMILES
CCC(C1=C(C(=CC=C1)F)F)N
InChI
InChI=1S/C9H11F2N/c1-2-8(12)6-4-3-5-7(10)9(6)11/h3-5,8H,2,12H2,1H3
InChIKey
PRKPVGCHEHVENS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.58
TPSA
26.02

LogP / Solubility

WLOGP
2.37
MLOGP
2.09
XLogP3
1.9
Consensus LogP
2.12
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-2.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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