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CAS 126-19-2 Sarsasapogenin molecular structure lightbox
CAS RN: 126-19-2

Sarsasapogenin

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260527 100mg In stock Shanghai Inquiry
Batchno.20250307 1g In stock Shanghai Inquiry
Batchno.20251227 250mg In stock Shanghai Inquiry
Batchno.20250930 50mg In stock Shanghai Inquiry
Batchno.20250602 5g In stock Shanghai Inquiry
  • Product code: ICTA3192
  • Purity/Analytical Methods: >95.0%(GC)
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126-19-2 / (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol

Standard CAS: 126-19-2 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
126-19-2
Multi CAS
No
Molecular Formula
C27H44O3
Molecular Weight
416.600000
Exact Mass
416.329045
SMILES
C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1
InChI
InChI=1S/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
InChIKey
GMBQZIIUCVWOCD-WWASVFFGSA-N

Physical Properties

Melting Point
200 - 201.5 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
117.72
TPSA
38.69

LogP / Solubility

WLOGP
5.79
MLOGP
5.12
XLogP3
6.5
Consensus LogP
5.8
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-7.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.18
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.15

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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