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CAS 59462-26-9 (-)-6,7,8,9-Tetrahydro-1,5,8-trimethylnaphtho[2,1-b]furan molecular structure lightbox
CAS RN: 59462-26-9

(-)-6,7,8,9-Tetrahydro-1,5,8-trimethylnaphtho[2,1-b]furan

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  • Product code: starshine_CAS59462-26-9
  • Purity/Analytical Methods: >99.0%
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59462-26-9 / 1,5,8-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran

Standard CAS: 59462-26-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59462-26-9
Multi CAS
Yes
Molecular Formula
C15H18O
Molecular Weight
214.300000
Exact Mass
214.135765
InChI
InChI=1S/C15H18O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h7-9H,4-6H2,1-3H3/t9-/m1/s1
InChIKey
GWQCNWWIXOLIAV-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.47
H-bond acceptors
1
Molar refractivity
66.88
TPSA
13.14

LogP / Solubility

WLOGP
4.17
MLOGP
3.68
XLogP3
4.7
Consensus LogP
4.18
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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