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CAS 88499-85-8 6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-2-OL molecular structure lightbox
CAS RN: 88499-85-8

6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-2-OL

  • Product code: SSC-199204
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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 88499-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

88499-85-8 / 1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

Standard CAS: 88499-85-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88499-85-8
Multi CAS
Yes
Molecular Formula
C8H9NO
Molecular Weight
135.160000
Exact Mass
135.068414
InChI
InChI=1S/C8H9NO/c10-8-5-4-6-2-1-3-7(6)9-8/h4-5H,1-3H2,(H,9,10)
InChIKey
GXXRRIYKTZNCNC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.38
H-bond acceptors
1
H-bond donors
1
Molar refractivity
39.09
TPSA
32.86

LogP / Solubility

WLOGP
0.86
MLOGP
0.75
XLogP3
0.4
Consensus LogP
0.67
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-2.93

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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