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CAS 263162-45-4 2-(3,5-difluorophenyl)propanoic acid molecular structure lightbox
CAS RN: 263162-45-4

2-(3,5-difluorophenyl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250724 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-123697
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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 263162-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

263162-45-4 / 2-(3,5-difluorophenyl)propanoic acid

Standard CAS: 263162-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
263162-45-4
Multi CAS
No
Molecular Formula
C9H8F2O2
Molecular Weight
186.150000
Exact Mass
186.049236
SMILES
CC(C1=CC(=CC(=C1)F)F)C(=O)O
InChI
InChI=1S/C9H8F2O2/c1-5(9(12)13)6-2-7(10)4-8(11)3-6/h2-5H,1H3,(H,12,13)
InChIKey
MLZLGSOLBOLYJW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.41
TPSA
37.3

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
2.2
Consensus LogP
2.08
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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