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CAS 660390-77-2 3-Fluoro-2-hydroxymethyl-phenol molecular structure lightbox
CAS RN: 660390-77-2

3-Fluoro-2-hydroxymethyl-phenol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250310 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS660390-77-2
  • Purity/Analytical Methods: >99.0%
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660390-77-2 / 3-fluoro-2-(hydroxymethyl)phenol

Standard CAS: 660390-77-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
660390-77-2
Multi CAS
No
Molecular Formula
C7FH7O2
Molecular Weight
142.130000
Exact Mass
142.043008
InChI
InChI=1S/C7H7FO2/c8-6-2-1-3-7(10)5(6)4-9/h1-3,9-10H,4H2
InChIKey
WBCNXJQLFJZDLJ-UHFFFAOYSA-N

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
2
Molar refractivity
33.99
TPSA
40.46

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
1.2
Consensus LogP
1.04
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-2.86

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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