CAS RN: 1794960-21-6
2-(N-Acetoacetylamino)ethanol-d4
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.20250215 | 1mg / 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1794960-21-6
- Purity/Analytical Methods: >99.0%
1794960-21-6 / 3-oxo-N-(1,1,2,2-tetradeuterio-2-hydroxyethyl)butanamide
Basic Information
CAS
1794960-21-6
Multi CAS
No
Molecular Formula
C6H11NO3
Molecular Weight
149.180000
Exact Mass
149.099000
SMILES
[2H]C([2H])(C([2H])([2H])O)NC(=O)CC(=O)C
InChI
InChI=1S/C6H11NO3/c1-5(9)4-6(10)7-2-3-8/h8H,2-4H2,1H3,(H,7,10)/i2D2,3D2
InChIKey
CYLHYHWFVOHKMK-RRVWJQJTSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
35.39
TPSA
66.4
LogP / Solubility
WLOGP
-0.93
MLOGP
-0.82
XLogP3
-1.3
Consensus LogP
-1.02
Log S (ESOL)
0.11
Class (ESOL)
Highly soluble
Log S (Ali)
-0.08
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.31
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1795011-61-8 Benzo[c]phenanthrene-d5 molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Benzo[c]phenanthrene-d5
- CAS RN: 1795011-61-8
- Product Code: starshine_CAS1795011-61-8
- Purity/Analytical method: >99.0%
-
2,3,5,6-tetradeuterio-4-(1,1-dioxothiazinan-2-yl)benzenesulfonamide
- CAS RN: 1795021-05-4
- Product Code: starshine_CAS1795021-05-4
- Purity/Analytical method: >99.0%
-
N-Benzyl Epinephrine-d3
- CAS RN: 1795027-87-0
- Product Code: starshine_CAS1795027-87-0
- Purity/Analytical method: >99.0%
-
Formoterol EP Impurity F
- CAS RN: 1795129-59-7
- Product Code: starshine_CAS1795129-59-7
- Purity/Analytical method: >99.0%
-
p-[1-(DiMethyl-d6)]aMinoethyliMino)aniline
- CAS RN: 1795133-90-2
- Product Code: starshine_CAS1795133-90-2
- Purity/Analytical method: >99.0%
-
(2Z)-3-(4-AMino-3,5-diMethylphenyl)-2-propenenitrile-d6
- CAS RN: 1795135-93-1
- Product Code: starshine_CAS1795135-93-1
- Purity/Analytical method: >99.0%
![CAS 1795011-61-8 Benzo[c]phenanthrene-d5 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62557814.gif)
![CAS 1795133-90-2 p-[1-(DiMethyl-d6)]aMinoethyliMino)aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB72620973.gif)
