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CAS 501433-14-3 Methyl 2,6-Difluoro-3-iodobenzoate molecular structure lightbox
CAS RN: 501433-14-3

Methyl 2,6-Difluoro-3-iodobenzoate

  • Product code: SSC-156554
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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
  • Available purity: ≥95%
  • 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 501433-14-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

501433-14-3 / methyl 2,6-difluoro-3-iodobenzoate

Standard CAS: 501433-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501433-14-3
Multi CAS
No
Molecular Formula
C8F2H5IO2
Molecular Weight
298.020000
Exact Mass
297.930230
InChI
InChI=1S/C8H5F2IO2/c1-13-8(12)6-4(9)2-3-5(11)7(6)10/h2-3H,1H3
InChIKey
GNFWWJODIGADOC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.41
TPSA
26.3

LogP / Solubility

WLOGP
2.36
MLOGP
2.09
XLogP3
2.6
Consensus LogP
2.35
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.87

Drug-likeness / Medicinal Chemistry

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

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