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CAS 20562-02-1 ALPHA-SOLANINE molecular structure lightbox
CAS RN: 20562-02-1

ALPHA-SOLANINE

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260414 10mg In stock Shanghai Inquiry
Batchno.20260208 1mg In stock Shanghai Inquiry
Batchno.20250516 25mg In stock Shanghai Inquiry
Batchno.20250511 5mg In stock Shanghai Inquiry
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Batchno.20260326 100mg In stock Shanghai Inquiry
Batchno.20260522 1mg In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20250711 25mg In stock Shanghai, Chongqing Inquiry
Batchno.20250426 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS20562-02-1
  • Purity/Analytical Methods: >99.0%
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20562-02-1 / (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,7S,10R,11S,14S,15R,16S,17R,20S,23S)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Standard CAS: 20562-02-1 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
20562-02-1
Multi CAS
No
Molecular Formula
C45H73NO15
Molecular Weight
868.100000
Exact Mass
867.498021
SMILES
C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C
InChI
InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1
InChIKey
ZGVSETXHNHBTRK-UDJLNJFBSA-N

Physical Properties

Physical Description
Solid; [Merck Index] White odorless solid
Appearance
SLENDER NEEDLES FROM 85% ALC
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
61
Fraction Csp3
0.96
Rotatable bonds
8
H-bond acceptors
16
H-bond donors
9
Molar refractivity
214.92
TPSA
240.69

LogP / Solubility

WLOGP
0.16
MLOGP
0.22
XLogP3
1.8
Consensus LogP
0.73
Log S (ESOL)
-4.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.39
Class (SILICOS-IT)
Insoluble

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)
-7.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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