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CAS 71288-97-6 Phenol, 5-(aminomethyl)-2,4-difluoro- (9CI) molecular structure lightbox
CAS RN: 71288-97-6

Phenol, 5-(aminomethyl)-2,4-difluoro- (9CI)

  • Product code: SSC-180926
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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 71288-97-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

71288-97-6 / 5-(aminomethyl)-2,4-difluorophenol

Standard CAS: 71288-97-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71288-97-6
Multi CAS
No
Molecular Formula
C7F2H7NO
Molecular Weight
159.130000
Exact Mass
159.049570
InChI
InChI=1S/C7H7F2NO/c8-5-2-6(9)7(11)1-4(5)3-10/h1-2,11H,3,10H2
InChIKey
UPYMEQBRNMCLGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.91
TPSA
46.25

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.6
Consensus LogP
0.91
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
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)
-2.89

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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