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CAS 87440-56-0 Glepidotin B molecular structure lightbox
CAS RN: 87440-56-0

Glepidotin B

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 1mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS87440-56-0
  • Purity/Analytical Methods: >99.0%
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87440-56-0 / (2R,3R)-3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one

Standard CAS: 87440-56-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87440-56-0
Multi CAS
Yes
Molecular Formula
C20H20O5
Molecular Weight
340.400000
Exact Mass
340.131074
InChI
InChI=1S/C20H20O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,18-19,21-22,24H,9H2,1-2H3/t18-,19+/m0/s1
InChIKey
ATJOIGKHVRPLSM-RBUKOAKNSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
3
Molar refractivity
93.05
TPSA
86.99

LogP / Solubility

WLOGP
3.28
MLOGP
2.91
XLogP3
4.1
Consensus LogP
3.43
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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