CAS RN: 955-40-8
N-BENZYL-L-PROLINE ETHYL ESTER
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.20251113 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS955-40-8
- Purity/Analytical Methods: >99.0%
955-40-8 / ethyl (2S)-1-benzylpyrrolidine-2-carboxylate
Basic Information
CAS
955-40-8
Multi CAS
Yes
Molecular Formula
C14H19NO2
Molecular Weight
233.310000
Exact Mass
233.141579
InChI
InChI=1S/C14H19NO2/c1-2-17-14(16)13-9-6-10-15(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1
InChIKey
FLASAKCDOWUBQX-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
66.51
TPSA
29.54
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.6
Consensus LogP
2.25
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly 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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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