CAS RN: 548-37-8
VERBENALIN
Product Availability
Choose a grade to view its available package options.
11 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250201 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260212 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250505 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250211 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250327 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250514 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251128 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS548-37-8
- Purity/Analytical Methods: >99.0%
548-37-8 / methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Basic Information
CAS
548-37-8
Multi CAS
Yes
Molecular Formula
C17H24O10
Molecular Weight
388.400000
Exact Mass
388.136947
InChI
InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1
InChIKey
HLXRWTJXGMHOFN-XJSNKYLASA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.76
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
4
Molar refractivity
85.59
TPSA
151.98
LogP / Solubility
WLOGP
-1.94
MLOGP
-1.69
XLogP3
-1.5
Consensus LogP
-1.71
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
Class (SILICOS-IT)
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)
-6.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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