CAS RN: 288141-04-8

Platyphyllonol 5-O-β-D-xylopyranoside

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Batchno.20250804 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS288141-04-8
  • Purity/Analytical Methods: >99.0%
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288141-04-8 / (5S)-1,7-bis(4-hydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one

Standard CAS: 288141-04-8 Multi CAS: No

Basic Information

CAS
288141-04-8
Multi CAS
No
Molecular Formula
C24H30O8
Molecular Weight
446.500000
Exact Mass
446.194068
InChI
InChI=1S/C24H30O8/c25-17-7-1-15(2-8-17)5-11-19(27)13-20(12-6-16-3-9-18(26)10-4-16)32-24-23(30)22(29)21(28)14-31-24/h1-4,7-10,20-26,28-30H,5-6,11-14H2/t20-,21+,22-,23+,24-/m0/s1
InChIKey
GTGWRSYHHGXYAS-QOXFPCGXSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
5
Molar refractivity
115.11
TPSA
136.68

LogP / Solubility

WLOGP
1.45
MLOGP
1.3
XLogP3
1.2
Consensus LogP
1.32
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
Class (SILICOS-IT)
Slightly 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)
-4.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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