![CAS 1000577-71-8 Octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-5-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000577-71-8.gif)
CAS RN: 1000577-71-8
Octahydro-5H-pyrrolo[1,2-a][1,4]diazepin-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.20260611 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: SSC-000309
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1000577-71-8 / 1,2,3,4,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-5-one
Octahydropyrrolo[1,2-a][1,4]diazepin-5-one | 1000577-71-8 | MFCD09878662
Basic Information
CAS
1000577-71-8
Multi CAS
Yes
Molecular Formula
C8H14N2O
Molecular Weight
154.210000
Exact Mass
154.110613
SMILES
C1CC2CNCCC(=O)N2C1
InChI
InChI=1S/C8H14N2O/c11-8-3-4-9-6-7-2-1-5-10(7)8/h7,9H,1-6H2
InChIKey
AKLGFFJQGYPBOC-UHFFFAOYSA-N
Synonyms
Octahydropyrrolo[1,2-a][1,4]diazepin-5-one
1000577-71-8
MFCD09878662
octahydro-1H-pyrrolo[1,2-a][1,4]diazepin-5-one
5H-Pyrrolo[1,2-a][1,4]diazepin-5-one, octahydro-
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.22
TPSA
32.34
LogP / Solubility
WLOGP
-0.03
MLOGP
-0.03
XLogP3
-0.4
Consensus LogP
-0.15
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.64
Class (SILICOS-IT)
Very 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)
-3.68
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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- CAS RN: 1000577-81-0
- Product Code: SSC-000313
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![CAS 1000577-81-0 tert-butyl 3-bromo-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000577-81-0.gif)
