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CAS 402-17-5 2-NITRO-5-(TRIFLUOROMETHYL)PHENOL molecular structure lightbox
CAS RN: 402-17-5

2-NITRO-5-(TRIFLUOROMETHYL)PHENOL

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250117 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20260202 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260614 25g In stock Shanghai Inquiry
Batchno.20250623 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-148254
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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: 5g
  • 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 402-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

402-17-5 / 2-nitro-5-(trifluoromethyl)phenol

Standard CAS: 402-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
402-17-5
Multi CAS
No
Molecular Formula
C7F3H4NO3
Molecular Weight
207.110000
Exact Mass
207.014327
InChI
InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-5(11(13)14)6(12)3-4/h1-3,12H
InChIKey
FVKYLHATVWKUMW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.76
TPSA
63.37

LogP / Solubility

WLOGP
2.32
MLOGP
2.04
XLogP3
2.3
Consensus LogP
2.22
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34

Drug-likeness / Medicinal Chemistry

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

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