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CAS 774-21-0 4-amino-1-phenyl-2-pyrrolidinone hydrochloride molecular structure lightbox
CAS RN: 774-21-0

4-amino-1-phenyl-2-pyrrolidinone hydrochloride

  • Product code: SSC-186950
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 774-21-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

774-21-0 / 4-amino-1-phenylpyrrolidin-2-one;hydrochloride

Standard CAS: 774-21-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
774-21-0
Multi CAS
Yes
Molecular Formula
C10H13CLN2O
Molecular Weight
212.670000
Exact Mass
212.071641
InChI
InChI=1S/C10H12N2O.ClH/c11-8-6-10(13)12(7-8)9-4-2-1-3-5-9;/h1-5,8H,6-7,11H2;1H
InChIKey
YKUPNEOUQMMOGV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.64
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)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-3.18

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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