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CAS 1556901-52-0 (3,3-difluorocyclohexyl)methanol molecular structure lightbox
CAS RN: 1556901-52-0

(3,3-difluorocyclohexyl)methanol

  • Product code: SSC-064934
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1556901-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Beijing Inquiry

1556901-52-0 / (3,3-difluorocyclohexyl)methanol

Standard CAS: 1556901-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1556901-52-0
Multi CAS
No
Molecular Formula
C7H12F2O
Molecular Weight
150.170000
Exact Mass
150.085621
SMILES
C1CC(CC(C1)(F)F)CO
InChI
InChI=1S/C7H12F2O/c8-7(9)3-1-2-6(4-7)5-10/h6,10H,1-5H2
InChIKey
BVOAPBKICTZRNM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.99
TPSA
20.23

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.7
Consensus LogP
1.69
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.09
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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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