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CAS 91658-92-3 2-FLUORO-3-HYDROXYBENZOIC ACID molecular structure lightbox
CAS RN: 91658-92-3

2-FLUORO-3-HYDROXYBENZOIC ACID

  • Product code: SSC-205012
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥96%
  • Inventory rows with stock: 1
  • 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 91658-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥96% 1 In Stock Beijing Inquiry
0.25g ≥96% 0 Out of Stock Shenzhen Inquiry
1g ≥96% 0 Out of Stock Shenzhen Inquiry
5g ≥96% 0 Out of Stock Hong Kong Inquiry

91658-92-3 / 2-fluoro-3-hydroxybenzoic acid

Standard CAS: 91658-92-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91658-92-3
Multi CAS
No
Molecular Formula
C7FH5O3
Molecular Weight
156.110000
Exact Mass
156.022272
InChI
InChI=1S/C7H5FO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,(H,10,11)
InChIKey
VKSRITXZTWTEEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.02
TPSA
57.53

LogP / Solubility

WLOGP
1.23
MLOGP
1.08
XLogP3
1.1
Consensus LogP
1.14
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-2.8

Drug-likeness / Medicinal Chemistry

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

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