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CAS 19993-32-9 CHRYSOERIOL-7-O-BETA-D-GLUCOSIDE molecular structure lightbox
CAS RN: 19993-32-9

CHRYSOERIOL-7-O-BETA-D-GLUCOSIDE

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250710 5mg / 10mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251118 10mg Out of stock Inquiry
Batchno.20250511 1mg Out of stock Inquiry
Batchno.20250224 5mg Out of stock Inquiry
  • Product code: starshine_CAS19993-32-9
  • Purity/Analytical Methods: >99.0%
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19993-32-9 / 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Standard CAS: 19993-32-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19993-32-9
Multi CAS
No
Molecular Formula
C22H22O11
Molecular Weight
462.400000
Exact Mass
462.116212
SMILES
COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C22H22O11/c1-30-15-4-9(2-3-11(15)24)14-7-13(26)18-12(25)5-10(6-16(18)32-14)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-7,17,19-25,27-29H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey
GAMYVSCDDLXAQW-MIUGBVLSSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
6
Molar refractivity
112.2
TPSA
179.28

LogP / Solubility

WLOGP
0.06
MLOGP
0.08
XLogP3
0.8
Consensus LogP
0.31
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
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)
-5.5

Drug-likeness / Medicinal Chemistry

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

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