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CAS 2248-46-6 (ALPHA,ALPHA-DIFLUORO)PHENYLACETIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 2248-46-6

(ALPHA,ALPHA-DIFLUORO)PHENYLACETIC ACID ETHYL ESTER

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250613 100g In stock Inquiry
Batchno.20260310 1g In stock Inquiry
Batchno.20251007 25g In stock Inquiry
Batchno.20250319 5g In stock Inquiry
  • Product code: SSC-109900
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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: 1g, 5g
  • Available purity: ≥98%
  • 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 2248-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry

2248-46-6 / ethyl 2,2-difluoro-2-phenylacetate

Standard CAS: 2248-46-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2248-46-6
Multi CAS
No
Molecular Formula
C10H10F2O2
Molecular Weight
200.180000
Exact Mass
200.064886
SMILES
CCOC(=O)C(C1=CC=CC=C1)(F)F
InChI
InChI=1S/C10H10F2O2/c1-2-14-9(13)10(11,12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
KCMSDCHUELUJPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
46.97
TPSA
26.3

LogP / Solubility

WLOGP
2.34
MLOGP
2.06
XLogP3
2.8
Consensus LogP
2.4
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.26
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)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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