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CAS 438578-91-7 demethyldaphnoretin-7-O-glucoside molecular structure lightbox
CAS RN: 438578-91-7

demethyldaphnoretin-7-O-glucoside

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250530 10mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260119 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS438578-91-7
  • Purity/Analytical Methods: >99.0%
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438578-91-7 / 6-hydroxy-3-(2-oxochromen-7-yl)oxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Standard CAS: 438578-91-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
438578-91-7
Multi CAS
No
Molecular Formula
C24H20O12
Molecular Weight
500.400000
Exact Mass
500.095476
InChI
InChI=1S/C24H20O12/c25-9-18-20(28)21(29)22(30)24(36-18)35-16-8-15-11(5-13(16)26)6-17(23(31)34-15)32-12-3-1-10-2-4-19(27)33-14(10)7-12/h1-8,18,20-22,24-26,28-30H,9H2/t18-,20-,21+,22-,24-/m1/s1
InChIKey
TUTZDZAXMZIKAN-BKSKZGTRSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
20
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
12
H-bond donors
5
Molar refractivity
121.1
TPSA
189.26

LogP / Solubility

WLOGP
0.58
MLOGP
0.54
XLogP3
1.1
Consensus LogP
0.74
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.36

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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