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CAS 32347-94-7 1-fluoro-3-(triethoxymethyl)benzene molecular structure lightbox
CAS RN: 32347-94-7

1-fluoro-3-(triethoxymethyl)benzene

  • Product code: SSC-137902
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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: 1g
  • Available purity: ≥95%
  • 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 32347-94-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

32347-94-7 / 1-fluoro-3-(trimethoxymethyl)benzene

Standard CAS: 32347-94-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32347-94-7
Multi CAS
Yes
Molecular Formula
C10FH13O3
Molecular Weight
200.210000
Exact Mass
200.084872
InChI
InChI=1S/C13H19FO3/c1-4-15-13(16-5-2,17-6-3)11-8-7-9-12(14)10-11/h7-10H,4-6H2,1-3H3
InChIKey
KSQMMEKWDRIMMD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
49.11
TPSA
27.69

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.4
Consensus LogP
1.64
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.61

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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