CAS RN: 215178-45-3
N-(9-FLUORENYLMETHOXYCARBONYL)-D-PROLIN&
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250413 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS215178-45-3
- Purity/Analytical Methods: >99.0%
215178-45-3 / 9H-fluoren-9-ylmethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Basic Information
CAS
215178-45-3
Multi CAS
No
Molecular Formula
C20H21NO3
Molecular Weight
323.400000
Exact Mass
323.152144
SMILES
C1C[C@@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CO
InChI
InChI=1S/C20H21NO3/c22-12-14-6-5-11-21(14)20(23)24-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19,22H,5-6,11-13H2/t14-/m1/s1
InChIKey
HJUXXCOVGMCKQL-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.88
TPSA
49.77
LogP / Solubility
WLOGP
3.39
MLOGP
3
XLogP3
3.1
Consensus LogP
3.16
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
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)
-2.28
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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