CAS RN: 98243-57-3
HUPEHENINE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260330 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS98243-57-3
- Purity/Analytical Methods: >99.0%
98243-57-3 / 6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol
Basic Information
CAS
98243-57-3
Multi CAS
Yes
Molecular Formula
C27H45NO2
Molecular Weight
415.700000
Exact Mass
415.345030
InChI
InChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15-,16+,17-,18-,19+,20+,21-,22+,23-,24+,25-,26+,27+/m0/s1
InChIKey
NEMWYOKGHGSVSC-MSSYMPDSSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
119.79
TPSA
43.7
LogP / Solubility
WLOGP
4.56
MLOGP
4.04
XLogP3
5.5
Consensus LogP
4.7
Log S (ESOL)
-5.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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- Purity/Analytical method: >99.0%
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