CAS RN: 942308-58-9
（2s,4s）-benzyl-4-hydroxy-2-（hydroxymethyl）pyrrolidine..
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.20251119 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS942308-58-9
- Purity/Analytical Methods: >99.0%
942308-58-9 / benzyl 4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Basic Information
CAS
942308-58-9
Multi CAS
Yes
Molecular Formula
C13H17NO4
Molecular Weight
251.280000
Exact Mass
251.115758
InChI
InChI=1S/C13H17NO4/c15-8-11-6-12(16)7-14(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2
InChIKey
WDEQGLDWZMIMJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.83
TPSA
70
LogP / Solubility
WLOGP
0.75
MLOGP
0.67
XLogP3
0.5
Consensus LogP
0.64
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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