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CAS 478832-05-2 4-AMino-1-benzylpyrrolidin-2-one Hydrochloride molecular structure lightbox
CAS RN: 478832-05-2

4-AMino-1-benzylpyrrolidin-2-one Hydrochloride

  • Product code: SSC-154834
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 478832-05-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shanghai Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry

478832-05-2 / 4-amino-1-benzylpyrrolidin-2-one;hydrochloride

Standard CAS: 478832-05-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
478832-05-2
Multi CAS
No
Molecular Formula
C11H15CLN2O
Molecular Weight
226.700000
Exact Mass
226.087291
InChI
InChI=1S/C11H14N2O.ClH/c12-10-6-11(14)13(8-10)7-9-4-2-1-3-5-9;/h1-5,10H,6-8,12H2;1H
InChIKey
BWOHUVMBCGXODG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.7
TPSA
46.33

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.17
Consensus LogP
1.12
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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