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CAS 1992-09-2 2-(4-AMINO-3-METHYLPHENYL)HEXAFLUOROISOPROPANOL molecular structure lightbox
CAS RN: 1992-09-2

2-(4-AMINO-3-METHYLPHENYL)HEXAFLUOROISOPROPANOL

  • Product code: SSC-093795
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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 1992-09-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1992-09-2 / 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

Standard CAS: 1992-09-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1992-09-2
Multi CAS
No
Molecular Formula
C10H9F6NO
Molecular Weight
273.170000
Exact Mass
273.058833
SMILES
CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)N
InChI
InChI=1S/C10H9F6NO/c1-5-4-6(2-3-7(5)17)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3
InChIKey
BBKBZCHWYBHANQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
51.6
TPSA
46.25

LogP / Solubility

WLOGP
2.89
MLOGP
2.55
XLogP3
2.5
Consensus LogP
2.65
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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