CAS RN: 435274-89-8
L-Proline, 5-cyano-, ethyl ester, (5R)- (9CI)
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.20251027 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS435274-89-8
- Purity/Analytical Methods: >99.0%
435274-89-8 / ethyl (2S,5R)-5-cyanopyrrolidine-2-carboxylate
Basic Information
CAS
435274-89-8
Multi CAS
Yes
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
InChI
InChI=1S/C8H12N2O2/c1-2-12-8(11)7-4-3-6(5-9)10-7/h6-7,10H,2-4H2,1H3/t6-,7+/m1/s1
InChIKey
WGPRYWGHOIXWPQ-RQJHMYQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
42.19
TPSA
62.12
LogP / Solubility
WLOGP
0.19
MLOGP
0.17
XLogP3
0.4
Consensus LogP
0.25
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
Class (SILICOS-IT)
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)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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