CAS RN: 400653-43-2
3-(N-FMOC-AMINO)PYRROLIDINE HYDROCHLORIDE
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_CAS400653-43-2
- Purity/Analytical Methods: >99.0%
400653-43-2 / 9H-fluoren-9-ylmethyl N-pyrrolidin-3-ylcarbamate;hydrochloride
Basic Information
CAS
400653-43-2
Multi CAS
Yes
Molecular Formula
C19H21CLN2O2
Molecular Weight
344.800000
Exact Mass
344.129156
InChI
InChI=1S/C19H20N2O2.ClH/c22-19(21-13-9-10-20-11-13)23-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18;/h1-8,13,18,20H,9-12H2,(H,21,22);1H
InChIKey
QHJZPPSRUIFDDD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
96.73
TPSA
50.36
LogP / Solubility
WLOGP
3.31
MLOGP
2.93
XLogP3
3.31
Consensus LogP
3.18
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
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)
-2.47
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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