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CAS 81228-25-3 4-BENZYLOXY-3-FLUORO-PHENOL molecular structure lightbox
CAS RN: 81228-25-3

4-BENZYLOXY-3-FLUORO-PHENOL

  • Product code: SSC-189760
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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: ＞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 81228-25-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

81228-25-3 / 3-fluoro-4-phenylmethoxyphenol

Standard CAS: 81228-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81228-25-3
Multi CAS
No
Molecular Formula
C13FH11O2
Molecular Weight
218.220000
Exact Mass
218.074308
InChI
InChI=1S/C13H11FO2/c14-12-8-11(15)6-7-13(12)16-9-10-4-2-1-3-5-10/h1-8,15H,9H2
InChIKey
GYIIGCADGAQVFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.84
TPSA
29.46

LogP / Solubility

WLOGP
3.11
MLOGP
2.74
XLogP3
3.1
Consensus LogP
2.98
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

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

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