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CAS 69132-30-5 1-(4-AMINO-2-METHOXYPHENYL)PYRROLIDIN-2-ONE molecular structure lightbox
CAS RN: 69132-30-5

1-(4-AMINO-2-METHOXYPHENYL)PYRROLIDIN-2-ONE

  • Product code: SSC-178758
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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: 0.25g
  • 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 69132-30-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

69132-30-5 / 1-(4-amino-2-methoxyphenyl)pyrrolidin-2-one

Standard CAS: 69132-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69132-30-5
Multi CAS
No
Molecular Formula
C11H14N2O2
Molecular Weight
206.240000
Exact Mass
206.105528
InChI
InChI=1S/C11H14N2O2/c1-15-10-7-8(12)4-5-9(10)13-6-2-3-11(13)14/h4-5,7H,2-3,6,12H2,1H3
InChIKey
UYVSSZOWTACRLF-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
3
H-bond donors
1
Molar refractivity
58.99
TPSA
55.56

LogP / Solubility

WLOGP
1.4
MLOGP
1.24
XLogP3
0.6
Consensus LogP
1.08
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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