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CAS 775-64-4 2-(1-Adamantyl)propan-2-ol molecular structure lightbox
CAS RN: 775-64-4

2-(1-Adamantyl)propan-2-ol

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Batchno.20250521 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS775-64-4
  • Purity/Analytical Methods: >99.0%
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775-64-4 / 2-(1-adamantyl)propan-2-ol

Standard CAS: 775-64-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
775-64-4
Multi CAS
No
Molecular Formula
C13H22O
Molecular Weight
194.310000
Exact Mass
194.167065
InChI
InChI=1S/C13H22O/c1-12(2,14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,14H,3-8H2,1-2H3
InChIKey
WBKAUEBLTWRERU-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
56.9
TPSA
20.23

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
3.1
Consensus LogP
2.9
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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