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CAS 68422-00-4 Sarsasapogenin 3-O-β-D-galactopyranosid molecular structure lightbox
CAS RN: 68422-00-4

Sarsasapogenin 3-O-β-D-galactopyranosid

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Batchno.20250710 10mg Out of stock Inquiry
  • Product code: starshine_CAS68422-00-4
  • Purity/Analytical Methods: >99.0%
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68422-00-4 / 2-(hydroxymethyl)-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxane-3,4,5-triol

Standard CAS: 68422-00-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
68422-00-4
Multi CAS
Yes
Molecular Formula
C33H54O8
Molecular Weight
578.800000
Exact Mass
578.381869
InChI
InChI=1S/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31-,32-,33+/m0/s1
InChIKey
ZNEIIZNXGCIAAL-MYNIFUFOSA-N

Physical Properties

Melting Point
245 - 247 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
41
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
4
Molar refractivity
150.36
TPSA
117.84

LogP / Solubility

WLOGP
3.62
MLOGP
3.23
XLogP3
4.9
Consensus LogP
3.92
Log S (ESOL)
-5.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-3.68

Drug-likeness / Medicinal Chemistry

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

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