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CAS 67330-25-0 Butyl 2-[[3-(Trifluoromethyl)phenyl]amino]benzoate molecular structure lightbox
CAS RN: 67330-25-0

Butyl 2-[[3-(Trifluoromethyl)phenyl]amino]benzoate

Product Availability

Choose a grade to view its available package options.

8 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 100g In stock Inquiry
Batchno.20250621 1g In stock Inquiry
Batchno.20260501 25g In stock Inquiry
Batchno.20250124 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250327 25g In stock Shenzhen, Chengdu Inquiry
Batchno.20250301 5g Out of stock Inquiry
Batchno.20260504 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-177033
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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: 100g
  • Available purity: ≥97%
  • 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 67330-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shanghai Inquiry

67330-25-0 / butyl 2-[3-(trifluoromethyl)anilino]benzoate

Standard CAS: 67330-25-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67330-25-0
Multi CAS
Yes
Molecular Formula
C18F3H18NO2
Molecular Weight
337.300000
Exact Mass
337.128963
InChI
InChI=1S/C18H18F3NO2/c1-2-3-11-24-17(23)15-9-4-5-10-16(15)22-14-8-6-7-13(12-14)18(19,20)21/h4-10,12,22H,2-3,11H2,1H3
InChIKey
JDLSRXWHEBFHNC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.28
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.36
TPSA
38.33

LogP / Solubility

WLOGP
5.41
MLOGP
4.77
XLogP3
6.8
Consensus LogP
5.66
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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