CAS RN: 42830-22-8
Forsythide dimethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250523 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS42830-22-8
- Purity/Analytical Methods: >99.0%
42830-22-8 / dimethyl 1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-dicarboxylate
Basic Information
CAS
42830-22-8
Multi CAS
No
Molecular Formula
C18H26O11
Molecular Weight
418.400000
Exact Mass
418.147512
InChI
InChI=1S/C18H26O11/c1-25-15(23)8-4-3-7-9(16(24)26-2)6-27-17(11(7)8)29-18-14(22)13(21)12(20)10(5-19)28-18/h6-8,10-14,17-22H,3-5H2,1-2H3
InChIKey
KVSFLKZCIIGPEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.78
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
4
Molar refractivity
91.54
TPSA
161.21
LogP / Solubility
WLOGP
-1.97
MLOGP
-1.71
XLogP3
-1.2
Consensus LogP
-1.63
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
Class (SILICOS-IT)
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)
-6.67
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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