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CAS 93-39-0 7-HYDROXYCOUMARIN GLUCOSIDE molecular structure lightbox
CAS RN: 93-39-0

7-HYDROXYCOUMARIN GLUCOSIDE

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6 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260407 100mg Out of stock Inquiry
Batchno.20251121 10mg In stock Shanghai Inquiry
Batchno.20250323 250mg Out of stock Inquiry
Batchno.20260320 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250315 20mg In stock Inquiry
Batchno.20260221 5mg Out of stock Inquiry
  • Product code: starshine_CAS93-39-0
  • Purity/Analytical Methods: >99.0%
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93-39-0 / 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Standard CAS: 93-39-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
93-39-0
Multi CAS
Yes
Molecular Formula
C15H16O8
Molecular Weight
324.280000
Exact Mass
324.084517
InChI
InChI=1S/C15H16O8/c16-6-10-12(18)13(19)14(20)15(23-10)21-8-3-1-7-2-4-11(17)22-9(7)5-8/h1-5,10,12-16,18-20H,6H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey
VPAOSFFTKWUGAD-TVKJYDDYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
4
Molar refractivity
76.88
TPSA
129.59

LogP / Solubility

WLOGP
-1.03
MLOGP
-0.89
XLogP3
-0.7
Consensus LogP
-0.87
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

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