![CAS 5177-39-9 7-CHLORO-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5177-39-9.gif)
CAS RN: 5177-39-9
7-CHLORO-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE
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.20260308 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5177-39-9
- Purity/Analytical Methods: >99.0%
5177-39-9 / 7-chloro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Basic Information
CAS
5177-39-9
Multi CAS
No
Molecular Formula
C9H7CLN2O2
Molecular Weight
210.620000
Exact Mass
210.019605
InChI
InChI=1S/C9H7ClN2O2/c10-5-1-2-7-6(3-5)9(14)11-4-8(13)12-7/h1-3H,4H2,(H,11,14)(H,12,13)
InChIKey
DUAONSMGNHXBMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.11
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.41
TPSA
58.2
LogP / Solubility
WLOGP
1.02
MLOGP
0.9
XLogP3
0.8
Consensus LogP
0.91
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.88
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)
-3.28
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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