CAS RN: 72063-39-9
Spinosin
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250307 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260211 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260129 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250402 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250715 | 5mg | In stock | Shanghai, Tianjin | Inquiry |
- Product code: ICTP2887
- Purity/Analytical Methods: >95.0%(HPLC)
72063-39-9 / 6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Basic Information
CAS
72063-39-9
Multi CAS
Yes
Molecular Formula
C28H32O15
Molecular Weight
608.500000
Exact Mass
608.174120
InChI
InChI=1S/C28H32O15/c1-39-14-7-15-18(12(32)6-13(40-15)10-2-4-11(31)5-3-10)22(35)19(14)26-27(24(37)21(34)16(8-29)41-26)43-28-25(38)23(36)20(33)17(9-30)42-28/h2-7,16-17,20-21,23-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1
InChIKey
VGGSULWDCMWZPO-ODEMIOGVSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
16
Fraction Csp3
0.46
Rotatable bonds
7
H-bond acceptors
15
H-bond donors
9
Molar refractivity
143.16
TPSA
249.2
LogP / Solubility
WLOGP
-1.78
MLOGP
-1.52
XLogP3
-1.1
Consensus LogP
-1.47
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-7.7
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10
