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CAS 77690-92-7 6-Feruloylspinosin molecular structure lightbox
CAS RN: 77690-92-7

6-Feruloylspinosin

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5 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 10mg Out of stock Inquiry
Batchno.20260408 1mg Out of stock Inquiry
Batchno.20251210 25mg Out of stock Inquiry
Batchno.20260605 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250612 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS77690-92-7
  • Purity/Analytical Methods: >99.0%
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77690-92-7 / [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Standard CAS: 77690-92-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77690-92-7
Multi CAS
Yes
Molecular Formula
C38H40O18
Molecular Weight
784.700000
Exact Mass
784.221464
InChI
InChI=1S/C38H40O18/c1-50-22-11-16(3-9-19(22)41)4-10-27(43)52-15-26-31(45)33(47)35(49)38(55-26)56-37-34(48)30(44)25(14-39)54-36(37)29-23(51-2)13-24-28(32(29)46)20(42)12-21(53-24)17-5-7-18(40)8-6-17/h3-13,25-26,30-31,33-41,44-49H,14-15H2,1-2H3/b10-4+/t25-,26-,30-,31-,33+,34+,35-,36+,37-,38+/m1/s1
InChIKey
WZAXZHIVHPRTIU-IHIXZLSHSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
22
Fraction Csp3
0.37
Rotatable bonds
11
H-bond acceptors
18
H-bond donors
9
Molar refractivity
190.72
TPSA
284.73

LogP / Solubility

WLOGP
0.2
MLOGP
0.24
XLogP3
0.7
Consensus LogP
0.38
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.24
Class (SILICOS-IT)
Insoluble

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)
-7.37

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
10

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