CAS RN: 197974-74-6
1,2-DIMYRISTOYL-3-TRIMETHYLAMMONIUM-PROPANE
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock1 grade group
- Product code: starshine_CAS197974-74-6
- Purity/Analytical Methods: >99.0%
197974-74-6 / 2,3-di(tetradecanoyloxy)propyl-trimethylazanium chloride
Basic Information
CAS
197974-74-6
Multi CAS
No
Molecular Formula
C34H68ClNO4
Molecular Weight
590.400000
Exact Mass
589.483687
SMILES
CCCCCCCCCCCCCC(=O)OCC(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC.[Cl-]
InChI
InChI=1S/C34H68NO4.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-33(36)38-31-32(30-35(3,4)5)39-34(37)29-27-25-23-21-19-17-15-13-11-9-7-2;/h32H,6-31H2,1-5H3;1H/q+1;/p-1
InChIKey
WOSYUIOSAOFINL-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
0.94
Rotatable bonds
29
H-bond acceptors
4
Molar refractivity
165.89
TPSA
52.6
LogP / Solubility
WLOGP
6.55
MLOGP
5.81
XLogP3
6.55
Consensus LogP
6.3
Log S (ESOL)
-5.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.42
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
![CAS 198062-54-3 (3S,3AS,6AR)-3-ISOPROPYL-1-(METHANESULFONYL)-4-[4-(1-PIPERIDINYL)-2(E)-BUTENOYL]PERHYDROPYRROLO[3,2B]PYRROL-2(1H)-ONE HYDROCHLORIDE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(3S,3AS,6AR)-3-ISOPROPYL-1-(METHANESULFONYL)-4-[4-(1-PIPERIDINYL)-2(E)-BUTENOYL]PERHYDROPYRROLO[3,2B]PYRROL-2(1H)-ONE HYDROCHLORIDE
- CAS RN: 198062-54-3
- Product Code: starshine_CAS198062-54-3
- Purity/Analytical method: >99.0%
-
8-BROMO-5′-O-(4,4′-DIMETHOXYTRITYL)-N2-DIMETHYLAMINOMETHYLENE-2′-DEOXYGUANOSINE, 3′-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITE
- CAS RN: 198080-37-4
- Product Code: starshine_CAS198080-37-4
- Purity/Analytical method: >99.0%
-
5-(E-2-CARBOMETHOXYVINYL)-5′-O-(4,4′-DIMETHOXYTRITYL)-2′-DEOXYURIDINE, 3′-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITE
- CAS RN: 198080-38-5
- Product Code: starshine_CAS198080-38-5
- Purity/Analytical method: >99.0%
-
-
(4-PYRIMIDIN-5-YLPHENYL)METHANOL
- CAS RN: 198084-13-8
- Product Code: starshine_CAS198084-13-8
- Purity/Analytical method: >99.0%
-
N,N-DIMETHYL 4,5-DIIODO-1H-IMIDAZOLE-1-SULFONAMIDE
- CAS RN: 198127-92-3
- Product Code: starshine_CAS198127-92-3
- Purity/Analytical method: >99.0%
![CAS 198062-54-3 (3S,3AS,6AR)-3-ISOPROPYL-1-(METHANESULFONYL)-4-[4-(1-PIPERIDINYL)-2(E)-BUTENOYL]PERHYDROPYRROLO[3,2B]PYRROL-2(1H)-ONE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/198062-54-3.gif)
![CAS 198080-37-4 8-BROMO-5′-O-(4,4′-DIMETHOXYTRITYL)-N2-DIMETHYLAMINOMETHYLENE-2′-DEOXYGUANOSINE, 3′-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/198080-37-4.gif)
![CAS 198080-38-5 5-(E-2-CARBOMETHOXYVINYL)-5′-O-(4,4′-DIMETHOXYTRITYL)-2′-DEOXYURIDINE, 3′-[(2-CYANOETHYL)-(N,N-DIISOPROPYL)]PHOSPHORAMIDITE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/198080-38-5.gif)
