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CAS 24041-60-9 (+)-ISOPINOCAMPHEOL molecular structure lightbox
CAS RN: 24041-60-9

(+)-ISOPINOCAMPHEOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260327 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24041-60-9
  • Purity/Analytical Methods: >99.0%
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24041-60-9 / (1S,2S,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

Standard CAS: 24041-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24041-60-9
Multi CAS
No
Molecular Formula
C10H18O
Molecular Weight
154.250000
Exact Mass
154.135765
SMILES
C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@@H]1O
InChI
InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1
InChIKey
REPVLJRCJUVQFA-KZVJFYERSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.17
TPSA
20.23

LogP / Solubility

WLOGP
2.05
MLOGP
1.8
XLogP3
2.6
Consensus LogP
2.15
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
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)
-2.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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