CAS RN: 289677-06-1
L-N-(4′-N-CBZ-PIPERIDINO)PROLINE
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.20260331 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS289677-06-1
- Purity/Analytical Methods: >99.0%
289677-06-1 / (2S)-1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
Basic Information
CAS
289677-06-1
Multi CAS
Yes
Molecular Formula
C18H24N2O4
Molecular Weight
332.400000
Exact Mass
332.173607
InChI
InChI=1S/C18H24N2O4/c21-17(22)16-7-4-10-20(16)15-8-11-19(12-9-15)18(23)24-13-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,21,22)/t16-/m0/s1
InChIKey
QFKKBRVYWOSFQR-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.59
TPSA
70.08
LogP / Solubility
WLOGP
2.34
MLOGP
2.07
XLogP3
0.1
Consensus LogP
1.5
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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