![CAS 63155-80-6 2[(1-OXOOCTADECYL)AMINO]-ETHANESULFONIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/63155-80-6.gif)
CAS RN: 63155-80-6
2[(1-OXOOCTADECYL)AMINO]-ETHANESULFONIC ACID
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 25mg / 100mg / 250mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS63155-80-6
- Purity/Analytical Methods: >99.0%
63155-80-6 / 2-(octadecanoylamino)ethanesulfonic acid
Basic Information
CAS
63155-80-6
Multi CAS
No
Molecular Formula
C20H41NO4S
Molecular Weight
391.600000
Exact Mass
391.275630
InChI
InChI=1S/C20H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25/h2-19H2,1H3,(H,21,22)(H,23,24,25)
InChIKey
LMIJIHJZVURGQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.95
Rotatable bonds
19
H-bond acceptors
3
H-bond donors
2
Molar refractivity
108.97
TPSA
83.47
LogP / Solubility
WLOGP
5.25
MLOGP
4.64
XLogP3
6.8
Consensus LogP
5.56
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.84
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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