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CAS 2102409-05-0 4-amino-1-(propan-2-yl)-1,2-dihydropyridin-2-one hydrochloride molecular structure lightbox
CAS RN: 2102409-05-0

4-amino-1-(propan-2-yl)-1,2-dihydropyridin-2-one hydrochloride

  • Product code: SSC-100018
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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 2102409-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2102409-05-0 / 4-amino-1-propan-2-ylpyridin-2-one;hydrochloride

Standard CAS: 2102409-05-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2102409-05-0
Multi CAS
No
Molecular Formula
C8H13ClN2O
Molecular Weight
188.650000
Exact Mass
188.071641
SMILES
CC(C)N1C=CC(=CC1=O)N.Cl
InChI
InChI=1S/C8H12N2O.ClH/c1-6(2)10-4-3-7(9)5-8(10)11;/h3-6H,9H2,1-2H3;1H
InChIKey
CXVYZAMVNQMVQB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.75
TPSA
48.02

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1.43
Consensus LogP
1.37
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
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)
-2.85

Drug-likeness / Medicinal Chemistry

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

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