CAS RN: 520-68-3
ECHIMIDINE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260530 | 10mg | Out of stock | Inquiry |
- Product code: starshine_CAS520-68-3
- Purity/Analytical Methods: >99.0%
520-68-3 / [7-(2-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Basic Information
CAS
520-68-3
Multi CAS
Yes
Molecular Formula
C20H31NO7
Molecular Weight
397.500000
Exact Mass
397.210052
InChI
InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3
InChIKey
HRSGCYGUWHGOPY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.7
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
3
Molar refractivity
101.26
TPSA
116.53
LogP / Solubility
WLOGP
0.3
MLOGP
0.29
XLogP3
-0.1
Consensus LogP
0.16
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-4.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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