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CAS 401-94-5 3-AMINO-5-NITROBENZOTRIFLUORIDE molecular structure lightbox
CAS RN: 401-94-5

3-AMINO-5-NITROBENZOTRIFLUORIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260629 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-148078
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 401-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

401-94-5 / 3-nitro-5-(trifluoromethyl)aniline

Standard CAS: 401-94-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
401-94-5
Multi CAS
Yes
Molecular Formula
C7F3H5N2O2
Molecular Weight
206.120000
Exact Mass
206.030312
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-5(11)3-6(2-4)12(13)14/h1-3H,11H2
InChIKey
LTVWXWWSCLXXAT-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
42.51
TPSA
69.16

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
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)
-2.42

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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