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CAS 145382-61-2 Glyasperin F molecular structure lightbox
CAS RN: 145382-61-2

Glyasperin F

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS145382-61-2
  • Purity/Analytical Methods: >99.0%
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145382-61-2 / 5,7-dihydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-2,3-dihydrochromen-4-one

Standard CAS: 145382-61-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
145382-61-2
Multi CAS
No
Molecular Formula
C20H18O6
Molecular Weight
354.400000
Exact Mass
354.110338
SMILES
CC1(C=CC2=C(C=CC(=C2O1)C3COC4=CC(=CC(=C4C3=O)O)O)O)C
InChI
InChI=1S/C20H18O6/c1-20(2)6-5-12-14(22)4-3-11(19(12)26-20)13-9-25-16-8-10(21)7-15(23)17(16)18(13)24/h3-8,13,21-23H,9H2,1-2H3
InChIKey
CFCUNFSHJIQKLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
94.19
TPSA
96.22

LogP / Solubility

WLOGP
3.35
MLOGP
2.96
XLogP3
3.5
Consensus LogP
3.27
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
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
Yes
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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