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CAS 1256545-48-8 4,4-difluoro-1-(hydroxymethyl)cyclohexan-1-ol molecular structure lightbox
CAS RN: 1256545-48-8

4,4-difluoro-1-(hydroxymethyl)cyclohexan-1-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250310 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1256545-48-8
  • Purity/Analytical Methods: >99.0%
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1256545-48-8 / 4,4-difluoro-1-(hydroxymethyl)cyclohexan-1-ol

Standard CAS: 1256545-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256545-48-8
Multi CAS
No
Molecular Formula
C7H12F2O2
Molecular Weight
166.170000
Exact Mass
166.080536
SMILES
C1CC(CCC1(CO)O)(F)F
InChI
InChI=1S/C7H12F2O2/c8-7(9)3-1-6(11,5-10)2-4-7/h10-11H,1-5H2
InChIKey
UWQNBBJRNAMXKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
35.45
TPSA
40.46

LogP / Solubility

WLOGP
0.92
MLOGP
0.8
XLogP3
0.6
Consensus LogP
0.77
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-3.08

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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