CAS RN: 685132-59-6
7-Acetylintermedine N-oxide
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.20260205 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS685132-59-6
- Purity/Analytical Methods: >99.0%
685132-59-6 / [(7R,8R)-7-acetyloxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl]methyl (2S)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoate
Basic Information
CAS
685132-59-6
Multi CAS
Yes
Molecular Formula
C17H27NO7
Molecular Weight
357.400000
Exact Mass
357.178752
InChI
InChI=1S/C17H27NO7/c1-10(2)17(22,11(3)19)16(21)24-9-13-5-7-18(23)8-6-14(15(13)18)25-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3/t11-,14-,15-,17+,18?/m1/s1
InChIKey
LQRKAEIDKZNCJO-MYWVZKBFSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.76
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
87.83
TPSA
116.12
LogP / Solubility
WLOGP
0.26
MLOGP
0.24
XLogP3
-0.4
Consensus LogP
0.03
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-4.72
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
5
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