CAS RN: 194787-05-8
AMMONIUM ACETATE-D7
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock2 grade groups
- Product code: starshine_CAS194787-05-8
- Purity/Analytical Methods: >99.0%
194787-05-8 / AMMONIUM ACETATE-D7
Basic Information
CAS
194787-05-8
Multi CAS
No
Molecular Formula
C2H7NO2
Molecular Weight
84.130000
Exact Mass
84.091616
SMILES
[2H]C([2H])([2H])C(=O)O[2H].[2H]N([2H])[2H]
InChI
InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3/i1D3;/hD4
InChIKey
USFZMSVCRYTOJT-KYWLLVRESA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
18.33
TPSA
72.3
LogP / Solubility
WLOGP
0.25
MLOGP
0.21
XLogP3
0.25
Consensus LogP
0.24
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
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)
-3.01
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
Customers Also Viewed
-
![CAS 194787-36-5 5-(3-(benzyloxy)phenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-amine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-(3-(benzyloxy)phenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-amine
- CAS RN: 194787-36-5
- Product Code: starshine_CAS194787-36-5
- Purity/Analytical method: >99.0%
-
-
5-(benzyloxy)pentan-2-ol
- CAS RN: 194794-54-2
- Product Code: starshine_CAS194794-54-2
- Purity/Analytical method: >99.0%
-
Fosfluconazole
- CAS RN: 194798-83-9
- Product Code: starshine_CAS194798-83-9
- Purity/Analytical method: >99.0%
-
4,4′-BIS(DIHYDROXYPHOSPHORYL)-2,2′-BIPYRIDINE
- CAS RN: 194800-56-1
- Product Code: SSC-091869
-
![CAS 194787-36-5 5-(3-(benzyloxy)phenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/194787-36-5.gif)
