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CAS 87440-66-2 6-Dehydroxy-8-hydroxygaleopsinolone molecular structure lightbox
CAS RN: 87440-66-2

6-Dehydroxy-8-hydroxygaleopsinolone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260410 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS87440-66-2
  • Purity/Analytical Methods: >99.0%
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87440-66-2 / 2-(furan-3-ylmethyl)-3-(1-hydroxyethyl)-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-one

Standard CAS: 87440-66-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87440-66-2
Multi CAS
Yes
Molecular Formula
C20H28O3
Molecular Weight
316.400000
Exact Mass
316.203845
InChI
InChI=1S/C20H28O3/c1-13(21)15-11-17-19(2,3)7-5-8-20(17,4)18(22)16(15)10-14-6-9-23-12-14/h6,9,12-13,17,21H,5,7-8,10-11H2,1-4H3
InChIKey
PXUUSUBOPWOCOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.65
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
89.97
TPSA
50.44

LogP / Solubility

WLOGP
4.3
MLOGP
3.8
XLogP3
3.7
Consensus LogP
3.93
Log S (ESOL)
-4.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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