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CAS 20594-30-3 4-Methyl-1,5,6,7-tetrahydro-2H-cyclopenta[b]-pyridin-2-one molecular structure lightbox
CAS RN: 20594-30-3

4-Methyl-1,5,6,7-tetrahydro-2H-cyclopenta[b]-pyridin-2-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260609 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-096996
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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 20594-30-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

20594-30-3 / 4-methyl-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

Standard CAS: 20594-30-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20594-30-3
Multi CAS
No
Molecular Formula
C9H11NO
Molecular Weight
149.190000
Exact Mass
149.084064
SMILES
CC1=CC(=O)NC2=C1CCC2
InChI
InChI=1S/C9H11NO/c1-6-5-9(11)10-8-4-2-3-7(6)8/h5H,2-4H2,1H3,(H,10,11)
InChIKey
HFLWTMZFPBSEFU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.82
TPSA
32.86

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
0.3
Consensus LogP
0.83
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-2.8

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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