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CAS 106094-47-7 3-Fluoro-adaMantan-1-Methanol molecular structure lightbox
CAS RN: 106094-47-7

3-Fluoro-adaMantan-1-Methanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250719 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-007925
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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: 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 106094-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

106094-47-7 / (3-fluoro-1-adamantyl)methanol

(3-fluoroadamantan-1-yl)methanol | 3-Fluoroadamantane-1-methanol | 3-Fluoro-adamantane-1-methanol

Standard CAS: 106094-47-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
106094-47-7
Multi CAS
Yes
Molecular Formula
C11H17FO
Molecular Weight
184.250000
Exact Mass
184.126343
SMILES
C1C2CC3(CC1CC(C2)(C3)F)CO
InChI
InChI=1S/C11H17FO/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9,13H,1-7H2
InChIKey
HSPPHIJMDJLXOW-UHFFFAOYSA-N
Synonyms
(3-fluoroadamantan-1-yl)methanol 3-Fluoroadamantane-1-methanol 3-Fluoro-adamantane-1-methanol (3-fluoro-1-adamantyl)methanol MFCD18800687

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.04
TPSA
20.23

LogP / Solubility

WLOGP
2.29
MLOGP
2.01
XLogP3
2
Consensus LogP
2.1
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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