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CAS 117902-15-5 4-FLUORO-3-METHOXYPHENOL molecular structure lightbox
CAS RN: 117902-15-5

4-FLUORO-3-METHOXYPHENOL

  • Product code: SSC-017727
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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: 25g
  • 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 117902-15-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

117902-15-5 / 4-fluoro-3-methoxyphenol

4-Fluoro-3-methoxyphenol | DTXSID20556170 | RefChem:98979

Standard CAS: 117902-15-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117902-15-5
Multi CAS
No
Molecular Formula
C7H7FO2
Molecular Weight
142.130000
Exact Mass
142.043008
SMILES
COC1=C(C=CC(=C1)O)F
InChI
InChI=1S/C7H7FO2/c1-10-7-4-5(9)2-3-6(7)8/h2-4,9H,1H3
InChIKey
WZUOZXFYRZFFEW-UHFFFAOYSA-N
Synonyms
4-Fluoro-3-methoxyphenol DTXSID20556170 RefChem:98979 DTXCID20506953 634-504-2

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
34.62
TPSA
29.46

LogP / Solubility

WLOGP
1.54
MLOGP
1.35
XLogP3
0.9
Consensus LogP
1.26
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
Class (SILICOS-IT)
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)
-2.49

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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