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CAS 190957-22-3 (R)-4-(hydroxyMethyl)-1-((R)-1-phenylethyl)pyrrolidin-2-one molecular structure lightbox
CAS RN: 190957-22-3

(R)-4-(hydroxyMethyl)-1-((R)-1-phenylethyl)pyrrolidin-2-one

  • Product code: SSC-089507
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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: 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 190957-22-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

190957-22-3 / (4R)-4-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one

Standard CAS: 190957-22-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190957-22-3
Multi CAS
No
Molecular Formula
C13H17NO2
Molecular Weight
219.280000
Exact Mass
219.125929
SMILES
C[C@H](C1=CC=CC=C1)N2C[C@@H](CC2=O)CO
InChI
InChI=1S/C13H17NO2/c1-10(12-5-3-2-4-6-12)14-8-11(9-15)7-13(14)16/h2-6,10-11,15H,7-9H2,1H3/t10-,11-/m1/s1
InChIKey
REDSEXWGKAYROX-GHMZBOCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.76
TPSA
40.54

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
0.9
Consensus LogP
1.3
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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