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CAS 399580-48-4 (2-(trifluoroMethoxy)phenyl)acrylic acid molecular structure lightbox
CAS RN: 399580-48-4

(2-(trifluoroMethoxy)phenyl)acrylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-147777
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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: 0.25g
  • 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 399580-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

399580-48-4 / (E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoic acid

Standard CAS: 399580-48-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
399580-48-4
Multi CAS
Yes
Molecular Formula
C10F3H7O3
Molecular Weight
232.160000
Exact Mass
232.034729
InChI
InChI=1S/C10H7F3O3/c11-10(12,13)16-8-4-2-1-3-7(8)5-6-9(14)15/h1-6H,(H,14,15)/b6-5+
InChIKey
RTCUAUKXVCMIBS-AATRIKPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.79
TPSA
46.53

LogP / Solubility

WLOGP
2.68
MLOGP
2.36
XLogP3
3
Consensus LogP
2.68
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-2.23

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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