CAS RN: 948551-28-8
(9H-fluoren-9-yl)methyl 3-hydroxypyrrolidine-1-carboxylate
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.20250530 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS948551-28-8
- Purity/Analytical Methods: >99.0%
948551-28-8 / 9H-fluoren-9-ylmethyl 3-hydroxypyrrolidine-1-carboxylate
Basic Information
CAS
948551-28-8
Multi CAS
Yes
Molecular Formula
C19H19NO3
Molecular Weight
309.400000
Exact Mass
309.136493
InChI
InChI=1S/C19H19NO3/c21-13-9-10-20(11-13)19(22)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,13,18,21H,9-12H2
InChIKey
KPDNZJQVYQCDJW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.27
TPSA
49.77
LogP / Solubility
WLOGP
3
MLOGP
2.65
XLogP3
2.8
Consensus LogP
2.82
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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