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CAS 481075-38-1 2-FLUORO-5-HYDROXYMETHYL-BENZOIC ACID molecular structure lightbox
CAS RN: 481075-38-1

2-FLUORO-5-HYDROXYMETHYL-BENZOIC ACID

  • Product code: SSC-155085
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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
  • 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 481075-38-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

481075-38-1 / 2-fluoro-5-(hydroxymethyl)benzoic acid

Standard CAS: 481075-38-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
481075-38-1
Multi CAS
No
Molecular Formula
C8FH7O3
Molecular Weight
170.140000
Exact Mass
170.037922
InChI
InChI=1S/C8H7FO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,10H,4H2,(H,11,12)
InChIKey
IYKWCHKBOKMSGF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.28
TPSA
57.53

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1.4
Consensus LogP
1.1
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-3.04

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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