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CAS 81969-41-7 Splendoside molecular structure lightbox
CAS RN: 81969-41-7

Splendoside

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250823 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS81969-41-7
  • Purity/Analytical Methods: >99.0%
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81969-41-7 / methyl (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate

Standard CAS: 81969-41-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81969-41-7
Multi CAS
Yes
Molecular Formula
C17H26O11
Molecular Weight
406.400000
Exact Mass
406.147512
InChI
InChI=1S/C17H26O11/c1-25-14(23)8-5-26-15(10-7(8)2-3-17(10,24)6-19)28-16-13(22)12(21)11(20)9(4-18)27-16/h5,7,9-13,15-16,18-22,24H,2-4,6H2,1H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1
InChIKey
BUIDBCJSSFEBDL-DUMNYRKASA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
6
Molar refractivity
88.07
TPSA
175.37

LogP / Solubility

WLOGP
-3.03
MLOGP
-2.65
XLogP3
-2.7
Consensus LogP
-2.79
Log S (ESOL)
-0.12
Class (ESOL)
Very soluble
Log S (Ali)
-0.7
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.38
Class (SILICOS-IT)
Very 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)
-7.35

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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