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CAS 20595-30-6 trans-3-Fluorocinnamic acid molecular structure lightbox
CAS RN: 20595-30-6

trans-3-Fluorocinnamic acid

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251012 100g In stock Shandong Inquiry
Batchno.20260207 25g In stock Shanghai, Shandong Inquiry
Batchno.20260416 5g In stock Shanghai, Chongqing Inquiry
  • Product code: SSC-096998
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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: 10g, 5g, 25g, 100g, 500g
  • Available purity: ≥98%
  • Inventory rows with stock: 3
  • 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 20595-30-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
5g ≥98% 4 In Stock Hong Kong Inquiry
25g ≥98% 4 In Stock Beijing Inquiry
100g ≥98% 0 Out of Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

20595-30-6 / (E)-3-(3-fluorophenyl)prop-2-enoic acid

Standard CAS: 20595-30-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20595-30-6
Multi CAS
No
Molecular Formula
C9H7FO2
Molecular Weight
166.150000
Exact Mass
166.043008
SMILES
C1=CC(=CC(=C1)F)/C=C/C(=O)O
InChI
InChI=1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChIKey
RTSIUKMGSDOSTI-SNAWJCMRSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.07
TPSA
37.3

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2
Consensus LogP
1.87
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.58
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)
-2.37

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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