![CAS 1421438-85-8 5,7-dihydropyrido[2,3-d][3]benzazepin-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1421438-85-8.gif)
CAS RN: 1421438-85-8
5,7-dihydropyrido[2,3-d][3]benzazepin-6-one
- Product code: SSC-052880
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
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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1421438-85-8 / 5,7-dihydropyrido[2,3-d][3]benzazepin-6-one
Basic Information
CAS
1421438-85-8
Multi CAS
No
Molecular Formula
C13H10N2O
Molecular Weight
210.230000
Exact Mass
210.079313
SMILES
C1C2=CC=CC=C2C3=C(NC1=O)N=CC=C3
InChI
InChI=1S/C13H10N2O/c16-12-8-9-4-1-2-5-10(9)11-6-3-7-14-13(11)15-12/h1-7H,8H2,(H,14,15,16)
InChIKey
GDZSEAOCYLAVOG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.01
TPSA
41.99
LogP / Solubility
WLOGP
2.24
MLOGP
1.98
XLogP3
1.7
Consensus LogP
1.97
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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