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CAS 19046-26-5 WISTIN molecular structure lightbox
CAS RN: 19046-26-5

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Batchno.20260506 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19046-26-5
  • Purity/Analytical Methods: >99.0%
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19046-26-5 / 6-methoxy-3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 19046-26-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19046-26-5
Multi CAS
No
Molecular Formula
C23H24O10
Molecular Weight
460.400000
Exact Mass
460.136947
SMILES
COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C23H24O10/c1-29-12-5-3-11(4-6-12)14-10-31-15-8-17(16(30-2)7-13(15)19(14)25)32-23-22(28)21(27)20(26)18(9-24)33-23/h3-8,10,18,20-24,26-28H,9H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1
InChIKey
YLYJXNTZVUEFJZ-DODNOZFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.35
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
4
Molar refractivity
115.42
TPSA
148.05

LogP / Solubility

WLOGP
0.66
MLOGP
0.61
XLogP3
1
Consensus LogP
0.76
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
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)
-5.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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