![CAS 67046-22-4 5,6,7,9-Tetrahydro-8H-pyrido[2,3-b]azepin-8-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/67046-22-4.gif)
CAS RN: 67046-22-4
5,6,7,9-Tetrahydro-8H-pyrido[2,3-b]azepin-8-one
- Product code: SSC-176708
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: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
67046-22-4 / 5,6,7,9-tetrahydropyrido[2,3-b]azepin-8-one
Basic Information
CAS
67046-22-4
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
InChI
InChI=1S/C9H10N2O/c12-8-5-1-3-7-4-2-6-10-9(7)11-8/h2,4,6H,1,3,5H2,(H,10,11,12)
InChIKey
NUXQSZIQIJHKCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.8
TPSA
41.99
LogP / Solubility
WLOGP
1.36
MLOGP
1.19
XLogP3
0.7
Consensus LogP
1.08
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.75
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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