CAS RN: 64291-41-4
ACETAGASTRODINE
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250619 | 100mg | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20250220 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20260615 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260108 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260102 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251212 | 5g | In stock | Shanghai | Inquiry |
| Batchno.20260407 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS64291-41-4
- Purity/Analytical Methods: >99.0%
64291-41-4 / [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate
Basic Information
CAS
64291-41-4
Multi CAS
Yes
Molecular Formula
C21H26O11
Molecular Weight
454.400000
Exact Mass
454.147512
InChI
InChI=1S/C21H26O11/c1-11(23)27-10-17-18(28-12(2)24)19(29-13(3)25)20(30-14(4)26)21(32-17)31-16-7-5-15(9-22)6-8-16/h5-8,17-22H,9-10H2,1-4H3/t17-,18-,19+,20-,21-/m1/s1
InChIKey
HGUDVDQXCUHOED-YMQHIKHWSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
1
Molar refractivity
104.95
TPSA
143.89
LogP / Solubility
WLOGP
0.64
MLOGP
0.59
XLogP3
1.5
Consensus LogP
0.91
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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