![CAS 89044-79-1 7-Phenyl-[1,4]diazepan-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/89044-79-1.png)
CAS RN: 89044-79-1
7-Phenyl-[1,4]diazepan-5-one
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250309 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-200901
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
89044-79-1 / 7-phenyl-1,4-diazepan-5-one
Basic Information
CAS
89044-79-1
Multi CAS
Yes
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
InChI
InChI=1S/C11H14N2O/c14-11-8-10(12-6-7-13-11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)
InChIKey
UATUVKKDKVFGGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.81
TPSA
41.13
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
0.3
Consensus LogP
0.63
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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