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CAS 74733-25-8 Methyl 3-fluoro-4-forMylbenzoate molecular structure lightbox
CAS RN: 74733-25-8

Methyl 3-fluoro-4-forMylbenzoate

  • Product code: SSC-184192
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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: 1g, 5g, 10g, 25g, 0.1g, 0.25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 7
  • 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 74733-25-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Beijing Inquiry
25g >95% 4 In Stock Shenzhen Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
100g >95% 1 In Stock Shenzhen Inquiry

74733-25-8 / methyl 3-fluoro-4-formylbenzoate

Standard CAS: 74733-25-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74733-25-8
Multi CAS
No
Molecular Formula
C9FH7O3
Molecular Weight
182.150000
Exact Mass
182.037922
InChI
InChI=1S/C9H7FO3/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-5H,1H3
InChIKey
GJYBURAJRAHKAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.13
TPSA
43.37

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.3
Consensus LogP
1.32
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.27
Class (SILICOS-IT)
Moderately 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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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