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CAS 31170-78-2 7H-CYCLOPENTA[B]PYRIDIN-7-ONE, 5,6-DIHYDRO- molecular structure lightbox
CAS RN: 31170-78-2

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

  • Product code: SSC-136432
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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: 0.25g, 0.1g, 1g, 5g, 10g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • 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 31170-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
0.1g -- 1 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Hong Kong Inquiry

31170-78-2 / 5,6-dihydrocyclopenta[b]pyridin-7-one

Standard CAS: 31170-78-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
31170-78-2
Multi CAS
No
Molecular Formula
C8H7NO
Molecular Weight
133.150000
Exact Mass
133.052764
InChI
InChI=1S/C8H7NO/c10-7-4-3-6-2-1-5-9-8(6)7/h1-2,5H,3-4H2
InChIKey
ZULJQRMXUOTWBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
36.89
TPSA
29.96

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
0.9
Consensus LogP
1.06
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
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)
-2.67

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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