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CAS 131782-51-9 (3,5-Difluoro-2-methoxy-phenyl)-methanol molecular structure lightbox
CAS RN: 131782-51-9

(3,5-Difluoro-2-methoxy-phenyl)-methanol

  • Product code: SSC-038903
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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: 0.1g
  • 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 131782-51-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞95% 0 Out of Stock Beijing Inquiry

131782-51-9 / (3,5-difluoro-2-methoxyphenyl)methanol

Standard CAS: 131782-51-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
131782-51-9
Multi CAS
No
Molecular Formula
C8H8F2O2
Molecular Weight
174.140000
Exact Mass
174.049236
SMILES
COC1=C(C=C(C=C1F)F)CO
InChI
InChI=1S/C8H8F2O2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-3,11H,4H2,1H3
InChIKey
YNEZBGNDRVRQMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.83
TPSA
29.46

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
1.2
Consensus LogP
1.32
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-2.74

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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