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CAS 106877-48-9 2-aMino-3-(trifluoroMethyl)phenol molecular structure lightbox
CAS RN: 106877-48-9

2-aMino-3-(trifluoroMethyl)phenol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-008377
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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 106877-48-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

106877-48-9 / 2-amino-3-(trifluoromethyl)phenol

2-amino-3-(trifluoromethyl)phenol | 2-Amino-3-trifluoromethylphenol | MFCD15526973

Standard CAS: 106877-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106877-48-9
Multi CAS
No
Molecular Formula
C7H6F3NO
Molecular Weight
177.120000
Exact Mass
177.040148
SMILES
C1=CC(=C(C(=C1)O)N)C(F)(F)F
InChI
InChI=1S/C7H6F3NO/c8-7(9,10)4-2-1-3-5(12)6(4)11/h1-3,12H,11H2
InChIKey
ATJGAHFTSOPTCH-UHFFFAOYSA-N
Synonyms
2-amino-3-(trifluoromethyl)phenol 2-Amino-3-trifluoromethylphenol MFCD15526973 SCHEMBL2438871 DTXSID50579574

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.52
TPSA
46.25

LogP / Solubility

WLOGP
1.99
MLOGP
1.75
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.39

Drug-likeness / Medicinal Chemistry

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

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