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CAS 94396-09-5 Iristectorigenin A 7-glucoside molecular structure lightbox
CAS RN: 94396-09-5

Iristectorigenin A 7-glucoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 20mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS94396-09-5
  • Purity/Analytical Methods: >99.0%
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94396-09-5 / 5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 94396-09-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94396-09-5
Multi CAS
Yes
Molecular Formula
C23H24O12
Molecular Weight
492.400000
Exact Mass
492.126776
InChI
InChI=1S/C23H24O12/c1-31-12-5-9(3-4-11(12)25)10-8-33-13-6-14(22(32-2)19(28)16(13)17(10)26)34-23-21(30)20(29)18(27)15(7-24)35-23/h3-6,8,15,18,20-21,23-25,27-30H,7H2,1-2H3/t15-,18-,20+,21-,23-/m1/s1
InChIKey
XVNKSNSGLVWSFS-ZTATXHNCSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
6
Molar refractivity
118.75
TPSA
188.51

LogP / Solubility

WLOGP
0.07
MLOGP
0.09
XLogP3
0.8
Consensus LogP
0.32
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
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)
-5.68

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

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