CAS RN: 400819-99-0
4H-2,3-Benzodiazepin-4-one, 3,5-dihydro-3-Methyl-
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.20250524 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS400819-99-0
- Purity/Analytical Methods: >99.0%
400819-99-0 / 3-methyl-5H-2,3-benzodiazepin-4-one
Basic Information
CAS
400819-99-0
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
InChI
InChI=1S/C10H10N2O/c1-12-10(13)6-8-4-2-3-5-9(8)7-11-12/h2-5,7H,6H2,1H3
InChIKey
FTLQNFDLQJSQKY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
50.51
TPSA
32.67
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
0.8
Consensus LogP
0.92
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.05
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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