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CAS 1214324-64-7 Methyl 2-Fluoro-3-hydroxybenzoate molecular structure lightbox
CAS RN: 1214324-64-7

Methyl 2-Fluoro-3-hydroxybenzoate

  • Product code: SSC-023617
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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: 0.25g, 0.1g, 1g, 5g
  • Available purity: >97%
  • 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 1214324-64-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
0.1g >97% 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

1214324-64-7 / methyl 2-fluoro-3-hydroxybenzoate

Standard CAS: 1214324-64-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1214324-64-7
Multi CAS
No
Molecular Formula
C8H7FO3
Molecular Weight
170.140000
Exact Mass
170.037922
SMILES
COC(=O)C1=C(C(=CC=C1)O)F
InChI
InChI=1S/C8H7FO3/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4,10H,1H3
InChIKey
WQDFVKPILMCLCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.4
TPSA
46.53

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1.5
Consensus LogP
1.33
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.82

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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