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CAS 217650-27-6 4-Cadinen-7-ol molecular structure lightbox
CAS RN: 217650-27-6

4-Cadinen-7-ol

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 1mg Out of stock Inquiry
Batchno.20260216 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS217650-27-6
  • Purity/Analytical Methods: >99.0%
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217650-27-6 / (1R,4R,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-3,4,4a,5,6,8a-hexahydro-2H-naphthalen-1-ol

Standard CAS: 217650-27-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
217650-27-6
Multi CAS
No
Molecular Formula
C15H26O
Molecular Weight
222.370000
Exact Mass
222.198365
SMILES
C[C@@H]1CC[C@]([C@@H]2[C@H]1CCC(=C2)C)(C(C)C)O
InChI
InChI=1S/C15H26O/c1-10(2)15(16)8-7-12(4)13-6-5-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3
InChIKey
MUROKQYXIPVTGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.87
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.16
TPSA
20.23

LogP / Solubility

WLOGP
3.78
MLOGP
3.33
XLogP3
3.7
Consensus LogP
3.6
Log S (ESOL)
-3.53
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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)
-1.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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