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CAS 74385-37-8 Methyl 4-fluoro-3-Methoxybenzoate molecular structure lightbox
CAS RN: 74385-37-8

Methyl 4-fluoro-3-Methoxybenzoate

  • Product code: SSC-183831
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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: 5g
  • Available purity: ＞97%
  • 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 74385-37-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

74385-37-8 / methyl 4-fluoro-3-methoxybenzoate

Standard CAS: 74385-37-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
74385-37-8
Multi CAS
No
Molecular Formula
C9FH9O3
Molecular Weight
184.160000
Exact Mass
184.053572
InChI
InChI=1S/C9H9FO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
InChIKey
BKTVDAXZKFVQPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
44.29
TPSA
35.53

LogP / Solubility

WLOGP
1.62
MLOGP
1.42
XLogP3
2.2
Consensus LogP
1.75
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.69

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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