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CAS 59870-65-4 GLABROL molecular structure lightbox
CAS RN: 59870-65-4

GLABROL

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250425 10mg In stock Shanghai Inquiry
Batchno.20260630 1mg In stock Shanghai Inquiry
Batchno.20260411 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS59870-65-4
  • Purity/Analytical Methods: >99.0%
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59870-65-4 / 7-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Standard CAS: 59870-65-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
59870-65-4
Multi CAS
Yes
Molecular Formula
C25H28O4
Molecular Weight
392.500000
Exact Mass
392.198759
InChI
InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3/t24-/m0/s1
InChIKey
CUFAXDWQDQQKFF-DEOSSOPVSA-N

Physical Properties

Melting Point
90 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
114.8
TPSA
66.76

LogP / Solubility

WLOGP
5.82
MLOGP
5.15
XLogP3
6
Consensus LogP
5.66
Log S (ESOL)
-5.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.64
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.98

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

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