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CAS 474893-07-7 2,16-Kauranediol 2-O-beta-D-allopyraside molecular structure lightbox
CAS RN: 474893-07-7

2,16-Kauranediol 2-O-beta-D-allopyraside

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 5mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260624 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS474893-07-7
  • Purity/Analytical Methods: >99.0%
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474893-07-7 / 2-(hydroxymethyl)-6-[(14-hydroxy-5,5,9,14-tetramethyl-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)oxy]oxane-3,4,5-triol

Standard CAS: 474893-07-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
474893-07-7
Multi CAS
Yes
Molecular Formula
C26H44O7
Molecular Weight
468.600000
Exact Mass
468.308704
InChI
InChI=1S/C26H44O7/c1-23(2)10-15(32-22-21(30)20(29)19(28)16(12-27)33-22)11-24(3)17(23)7-8-26-9-14(5-6-18(24)26)25(4,31)13-26/h14-22,27-31H,5-13H2,1-4H3
InChIKey
YCCXOTBTLJGELG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
5
Molar refractivity
120.99
TPSA
119.61

LogP / Solubility

WLOGP
1.97
MLOGP
1.76
XLogP3
2.8
Consensus LogP
2.18
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
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)
-4.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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