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CAS 207976-92-9 2(1H)-Pyridinone, 3-chloro-5,6-dihydro- molecular structure lightbox
CAS RN: 207976-92-9

2(1H)-Pyridinone, 3-chloro-5,6-dihydro-

  • Product code: SSC-097837
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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 207976-92-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

207976-92-9 / 5-chloro-2,3-dihydro-1H-pyridin-6-one

Standard CAS: 207976-92-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
207976-92-9
Multi CAS
No
Molecular Formula
C5H6ClNO
Molecular Weight
131.560000
Exact Mass
131.013792
SMILES
C1CNC(=O)C(=C1)Cl
InChI
InChI=1S/C5H6ClNO/c6-4-2-1-3-7-5(4)8/h2H,1,3H2,(H,7,8)
InChIKey
MDCPVYOIYISUFL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.56
TPSA
29.1

LogP / Solubility

WLOGP
0.63
MLOGP
0.55
XLogP3
0.9
Consensus LogP
0.69
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.04
Class (SILICOS-IT)
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)
-3.08

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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