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CAS 1283719-51-6 4,4-Difluoro-1-(hydroxyMethyl)adaMantane molecular structure lightbox
CAS RN: 1283719-51-6

4,4-Difluoro-1-(hydroxyMethyl)adaMantane

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250721 100mg In stock Shanghai Inquiry
Batchno.20260405 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250325 1g In stock Shanghai Inquiry
Batchno.20260524 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1283719-51-6
  • Purity/Analytical Methods: >99.0%
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1283719-51-6 / (4,4-difluoro-1-adamantyl)methanol

Standard CAS: 1283719-51-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1283719-51-6
Multi CAS
No
Molecular Formula
C11H16F2O
Molecular Weight
202.240000
Exact Mass
202.116921
SMILES
C1C2CC3CC(C2)(CC1C3(F)F)CO
InChI
InChI=1S/C11H16F2O/c12-11(13)8-1-7-2-9(11)5-10(3-7,4-8)6-14/h7-9,14H,1-6H2
InChIKey
FUGCZPLJOOCMNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.02
TPSA
20.23

LogP / Solubility

WLOGP
2.44
MLOGP
2.15
XLogP3
2.2
Consensus LogP
2.26
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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