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CAS 40768-81-8 1,7-Diepi-8,15-cedranediol molecular structure lightbox
CAS RN: 40768-81-8

1,7-Diepi-8,15-cedranediol

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Batchno.20250403 5mg Out of stock Inquiry
  • Product code: starshine_CAS40768-81-8
  • Purity/Analytical Methods: >99.0%
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40768-81-8 / 8-(hydroxymethyl)-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-8-ol

Standard CAS: 40768-81-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40768-81-8
Multi CAS
Yes
Molecular Formula
C15H26O2
Molecular Weight
238.370000
Exact Mass
238.193280
InChI
InChI=1S/C15H26O2/c1-10-4-5-11-13(2,3)12-8-14(10,11)6-7-15(12,17)9-16/h10-12,16-17H,4-9H2,1-3H3
InChIKey
QKTKMDSUFFRLDB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.48
TPSA
40.46

LogP / Solubility

WLOGP
2.58
MLOGP
2.28
XLogP3
2.8
Consensus LogP
2.55
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
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)
-2.34

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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