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CAS 404-91-1 3-FLUORO-4-METHOXYPHENETHYL ALCOHOL molecular structure lightbox
CAS RN: 404-91-1

3-FLUORO-4-METHOXYPHENETHYL ALCOHOL

  • Product code: SSC-148569
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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: 0.25g, 1g, 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 404-91-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥97% 0 Out of Stock Shenzhen Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

404-91-1 / 2-(3-fluoro-4-methoxyphenyl)ethanol

Standard CAS: 404-91-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
404-91-1
Multi CAS
No
Molecular Formula
C9FH11O2
Molecular Weight
170.180000
Exact Mass
170.074308
InChI
InChI=1S/C9H11FO2/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6,11H,4-5H2,1H3
InChIKey
CTZFMMKZSPJHOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.74
TPSA
29.46

LogP / Solubility

WLOGP
1.37
MLOGP
1.2
XLogP3
0.9
Consensus LogP
1.16
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.26
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)
-2.79

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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