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CAS 197250-70-7 1H-Cyclopenta[c]pyridine-3,6(2H,4H)-dione,tetrahydro-,cis-(9CI) molecular structure lightbox
CAS RN: 197250-70-7

1H-Cyclopenta[c]pyridine-3,6(2H,4H)-dione,tetrahydro-,cis-(9CI)

  • Product code: SSC-093028
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 197250-70-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Shanghai Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

197250-70-7 / 2,4,4a,5,7,7a-hexahydro-1H-cyclopenta[c]pyridine-3,6-dione

Standard CAS: 197250-70-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197250-70-7
Multi CAS
No
Molecular Formula
C8H11NO2
Molecular Weight
153.180000
Exact Mass
153.078979
SMILES
C1C2CC(=O)NCC2CC1=O
InChI
InChI=1S/C8H11NO2/c10-7-1-5-3-8(11)9-4-6(5)2-7/h5-6H,1-4H2,(H,9,11)
InChIKey
XXOBSOBETAFJCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.75
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.85
TPSA
46.17

LogP / Solubility

WLOGP
0.1
MLOGP
0.08
XLogP3
-0.8
Consensus LogP
-0.21
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.74
Class (SILICOS-IT)
Very 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)
-3.58

Drug-likeness / Medicinal Chemistry

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

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