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CAS 50807-15-3 4-(2-cyclohexyl-2-propyl)cyclohexan-1-ol molecular structure lightbox
CAS RN: 50807-15-3

4-(2-cyclohexyl-2-propyl)cyclohexan-1-ol

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251127 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS50807-15-3
  • Purity/Analytical Methods: >99.0%
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50807-15-3 / 4-(2-cyclohexylpropan-2-yl)cyclohexan-1-ol

Standard CAS: 50807-15-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
50807-15-3
Multi CAS
No
Molecular Formula
C15H28O
Molecular Weight
224.380000
Exact Mass
224.214016
InChI
InChI=1S/C15H28O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h12-14,16H,3-11H2,1-2H3
InChIKey
SOEDCPFFUZMBNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.32
TPSA
20.23

LogP / Solubility

WLOGP
4.14
MLOGP
3.65
XLogP3
5
Consensus LogP
4.26
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.15

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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