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CAS 209982-91-2 Benzeneacetic acid, 3,5-difluoro-α-hydroxy-, (αS)- molecular structure lightbox
CAS RN: 209982-91-2

Benzeneacetic acid, 3,5-difluoro-α-hydroxy-, (αS)-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250128 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-099849
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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: 0.1g, 0.25g
  • 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 209982-91-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Hong Kong Inquiry
0.25g ≥98% 0 Out of Stock Shanghai Inquiry

209982-91-2 / (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid

Standard CAS: 209982-91-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209982-91-2
Multi CAS
No
Molecular Formula
C8H6F2O3
Molecular Weight
188.130000
Exact Mass
188.028500
SMILES
C1=C(C=C(C=C1F)F)[C@@H](C(=O)O)O
InChI
InChI=1S/C8H6F2O3/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,11H,(H,12,13)/t7-/m0/s1
InChIKey
PHMLPPFFMSRWBK-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
38.95
TPSA
57.53

LogP / Solubility

WLOGP
1.08
MLOGP
0.95
XLogP3
1
Consensus LogP
1.01
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.1

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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