CAS RN: 156980-60-8
Grosvenorine
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260614 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250220 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250517 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20251119 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250822 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250309 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250820 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS156980-60-8
- Purity/Analytical Methods: >99.0%
156980-60-8 / 7-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Basic Information
CAS
156980-60-8
Multi CAS
No
Molecular Formula
C33H40O19
Molecular Weight
740.700000
Exact Mass
740.216379
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=C(C=C6)O)O)O)O
InChI
InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)51-29-22(40)18-15(36)7-14(8-16(18)49-28(29)12-3-5-13(35)6-4-12)48-33-30(25(43)20(38)11(2)47-33)52-32-27(45)24(42)21(39)17(9-34)50-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24-,25+,26+,27+,30+,31-,32-,33-/m0/s1
InChIKey
FFGGWIVHOGEVSP-NWQOLJAQSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
16
Fraction Csp3
0.55
Rotatable bonds
8
H-bond acceptors
19
H-bond donors
11
Molar refractivity
169.85
TPSA
308.12
LogP / Solubility
WLOGP
-2.89
MLOGP
-2.48
XLogP3
-1.7
Consensus LogP
-2.36
Log S (ESOL)
-2.31
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.03
Class (SILICOS-IT)
Poorly 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)
-9.29
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
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