![CAS 1071727-78-0 (Z)-5H-Cyclopenta[b]pyridin-7(6H)-one O-methyl oxime molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1071727-78-0.gif)
CAS RN: 1071727-78-0
(Z)-5H-Cyclopenta[b]pyridin-7(6H)-one O-methyl oxime
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250316 | 25mg / 100mg / 250mg | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS1071727-78-0
- Purity/Analytical Methods: >99.0%
1071727-78-0 / (Z)-N-methoxy-5,6-dihydrocyclopenta[b]pyridin-7-imine
SCHEMBL13647908 | CS-0150157 | (E)-5,6-dihydro-7H-cyclopenta[b]pyridin-7-one O-methyl oxime
Basic Information
CAS
1071727-78-0
Multi CAS
Yes
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
SMILES
CO/N=C\1/CCC2=C1N=CC=C2
InChI
InChI=1S/C9H10N2O/c1-12-11-8-5-4-7-3-2-6-10-9(7)8/h2-3,6H,4-5H2,1H3/b11-8+
InChIKey
DLWKWZMJPJWODU-DHZHZOJOSA-N
Synonyms
SCHEMBL13647908
CS-0150157
(E)-5,6-dihydro-7H-cyclopenta[b]pyridin-7-one O-methyl oxime
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
46.1
TPSA
34.48
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1.5
Consensus LogP
1.36
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.89
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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