CAS RN: 212625-79-1
PYRROLIDINE-2,2,3,3,4,4,5,5-D8
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.20250201 | 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINP889991
212625-79-1 / 2,2,3,3,4,4,5,5-octadeuteriopyrrolidine
Basic Information
CAS
212625-79-1
Multi CAS
No
Molecular Formula
C4H9N
Molecular Weight
79.170000
Exact Mass
79.123713
SMILES
[2H]C1(C(C(NC1([2H])[2H])([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C4H9N/c1-2-4-5-3-1/h5H,1-4H2/i1D2,2D2,3D2,4D2
InChIKey
RWRDLPDLKQPQOW-SVYQBANQSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
22.1
TPSA
12.03
LogP / Solubility
WLOGP
0.37
MLOGP
0.31
XLogP3
0.5
Consensus LogP
0.39
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.43
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)
-2.89
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
-
Quercetagetin-7-O-glucoside, Analytical reference
- CAS RN: 548-75-4
- Product Code: SSC-162634
-
R-H8-(11bR)-4-Hydroxy-2,6-bis(2,4,6-tricyclohexylphenyl)-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 98%，ee99%
- CAS RN: 1676072-26-6
- Product Code: SSC-073111
-
-
-
(2S)-HYDROXY(PHENYL)ACETIC ACID (2R)-N-BENZYL-1-(4-METHOXYPHENYL)PROPAN-2-AMINE (1:1) (SALT)
- CAS RN: 188690-84-8
- Product Code: SSC-087810
-
(R)-3,3′-Bis(3,5-bis(trifluoromethyl)phenyl)-[1,1′-binaphthalene]-2,2′-diol, 98%，ee99%
- CAS RN: 756491-54-0
- Product Code: SSC-185084
![CAS 1676072-26-6 R-H8-(11bR)-4-Hydroxy-2,6-bis(2,4,6-tricyclohexylphenyl)-4-oxide-dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin, 98%，ee99% molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1676072-26-6.png)
![CAS 756491-54-0 (R)-3,3′-Bis(3,5-bis(trifluoromethyl)phenyl)-[1,1′-binaphthalene]-2,2′-diol, 98%，ee99% molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/r887868.gif)