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CAS 63704-54-1 2H-Cyclopenta[b]pyridin-2-one,4-amino-1,5,6,7-tetrahydro-(9CI) molecular structure lightbox
CAS RN: 63704-54-1

2H-Cyclopenta[b]pyridin-2-one,4-amino-1,5,6,7-tetrahydro-(9CI)

  • Product code: SSC-173467
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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 63704-54-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

63704-54-1 / 4-amino-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

Standard CAS: 63704-54-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
63704-54-1
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
InChI
InChI=1S/C8H10N2O/c9-6-4-8(11)10-7-3-1-2-5(6)7/h4H,1-3H2,(H3,9,10,11)
InChIKey
BABNDIHHFOPOOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.5
TPSA
58.88

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
XLogP3
-0.5
Consensus LogP
0.11
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.01
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)
-3.32

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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