![CAS 72908-87-3 6,7-DIHYDRO-1H,5H-PYRROLO[2,3-C]AZEPINE-4,8-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72908-87-3.gif)
CAS RN: 72908-87-3
6,7-DIHYDRO-1H,5H-PYRROLO[2,3-C]AZEPINE-4,8-DIONE
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.20250830 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS72908-87-3
- Purity/Analytical Methods: >99.0%
72908-87-3 / 1,5,6,7-tetrahydropyrrolo[2,3-c]azepine-4,8-dione
Basic Information
CAS
72908-87-3
Multi CAS
No
Molecular Formula
C8H8N2O2
Molecular Weight
164.160000
Exact Mass
164.058578
InChI
InChI=1S/C8H8N2O2/c11-6-2-4-10-8(12)7-5(6)1-3-9-7/h1,3,9H,2,4H2,(H,10,12)
InChIKey
AAPGLCCSVSGLFH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.07
TPSA
61.96
LogP / Solubility
WLOGP
0.33
MLOGP
0.29
XLogP3
-0.2
Consensus LogP
0.14
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
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)
-3.49
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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