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CAS 215178-39-5 (R)-1-FMOC-3-Pyrrolidinol molecular structure lightbox
CAS RN: 215178-39-5

(R)-1-FMOC-3-Pyrrolidinol

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Batchno.20251008 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS215178-39-5
  • Purity/Analytical Methods: >99.0%
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215178-39-5 / 9H-fluoren-9-ylmethyl (3R)-3-hydroxypyrrolidine-1-carboxylate

Standard CAS: 215178-39-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215178-39-5
Multi CAS
No
Molecular Formula
C19H19NO3
Molecular Weight
309.400000
Exact Mass
309.136493
SMILES
C1CN(C[C@@H]1O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
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/t13-/m1/s1
InChIKey
KPDNZJQVYQCDJW-CYBMUJFWSA-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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