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CAS 188818-27-1 8-Glucosyl-5,7-dihydroxy-2-(1-methylpropyl)chromone molecular structure lightbox
CAS RN: 188818-27-1

8-Glucosyl-5,7-dihydroxy-2-(1-methylpropyl)chromone

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260210 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS188818-27-1
  • Purity/Analytical Methods: >99.0%
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188818-27-1 / 2-butan-2-yl-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Standard CAS: 188818-27-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
188818-27-1
Multi CAS
No
Molecular Formula
C19H24O9
Molecular Weight
396.400000
Exact Mass
396.142032
SMILES
CCC(C)C1=CC(=O)C2=C(O1)C(=C(C=C2O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C19H24O9/c1-3-7(2)11-5-10(23)13-8(21)4-9(22)14(18(13)27-11)19-17(26)16(25)15(24)12(6-20)28-19/h4-5,7,12,15-17,19-22,24-26H,3,6H2,1-2H3/t7?,12-,15-,16+,17-,19+/m1/s1
InChIKey
XPFFFXIOYCKIEP-MCSKSXGPSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
6
Molar refractivity
97.24
TPSA
160.82

LogP / Solubility

WLOGP
0.23
MLOGP
0.23
XLogP3
0.4
Consensus LogP
0.29
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.91
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.97

Drug-likeness / Medicinal Chemistry

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

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