CAS RN: 216667-08-2
3-(N N-DIME(3-MYRISTOYLAMINOPROPYL)AMMO&
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.20260318 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS216667-08-2
- Purity/Analytical Methods: >99.0%
216667-08-2 / 3-[dimethyl-[3-(tetradecanoylamino)propyl]azaniumyl]propane-1-sulfonate
Basic Information
CAS
216667-08-2
Multi CAS
No
Molecular Formula
C22H46N2O4S
Molecular Weight
434.700000
Exact Mass
434.317829
SMILES
CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]
InChI
InChI=1S/C22H46N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-17-22(25)23-18-15-19-24(2,3)20-16-21-29(26,27)28/h4-21H2,1-3H3,(H-,23,25,26,27,28)
InChIKey
UTSXERRKRAEDOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.95
Rotatable bonds
20
H-bond acceptors
4
H-bond donors
1
Molar refractivity
119.73
TPSA
86.3
LogP / Solubility
WLOGP
4.21
MLOGP
3.73
XLogP3
5.4
Consensus LogP
4.45
Log S (ESOL)
-3.86
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.38
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)
-2.39
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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- CAS RN: 216699-36-4
- Product Code: starshine_CAS216699-36-4
- Purity/Analytical method: >99.0%
