CAS RN: 85955-28-8
Integerrimin-N-oxid
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.20250726 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS85955-28-8
- Purity/Analytical Methods: >99.0%
85955-28-8 / (4E)-4-ethylidene-7-hydroxy-6,7-dimethyl-14-oxido-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Basic Information
CAS
85955-28-8
Multi CAS
Yes
Molecular Formula
C18H25NO6
Molecular Weight
351.400000
Exact Mass
351.168188
InChI
InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-,19?/m1/s1
InChIKey
PLGBHVNNYDZWGZ-NRTYDQPPSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.67
H-bond acceptors
6
H-bond donors
1
Molar refractivity
88.85
TPSA
95.89
LogP / Solubility
WLOGP
1.21
MLOGP
1.08
XLogP3
0.5
Consensus LogP
0.93
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.94
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)
-4.01
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
6.5
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