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CAS 361456-46-4 4-(Bromomethyl)-3-fluorobenzoicacid molecular structure lightbox
CAS RN: 361456-46-4

4-(Bromomethyl)-3-fluorobenzoicacid

  • Product code: SSC-143290
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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
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 361456-46-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

361456-46-4 / 4-(bromomethyl)-3-fluorobenzoic acid

Standard CAS: 361456-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
361456-46-4
Multi CAS
No
Molecular Formula
BC8H6O2Rf
Molecular Weight
233.030000
Exact Mass
231.953520
InChI
InChI=1S/C8H6BrFO2/c9-4-6-2-1-5(8(11)12)3-7(6)10/h1-3H,4H2,(H,11,12)
InChIKey
FRWSNDGNNMQGNU-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
1
H-bond donors
1
Molar refractivity
45.99
TPSA
37.3

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
2.1
Consensus LogP
2.22
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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