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CAS 24919-37-7 3-Methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione molecular structure lightbox
CAS RN: 24919-37-7

3-Methyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

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4 package records0 with current stock1 grade group
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Batchno.20251206 100mg Out of stock Inquiry
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  • Product code: starshine_CAS24919-37-7
  • Purity/Analytical Methods: >99.0%
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24919-37-7 / 3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Standard CAS: 24919-37-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24919-37-7
Multi CAS
No
Molecular Formula
C10H10N2O2
Molecular Weight
190.200000
Exact Mass
190.074228
SMILES
CC1C(=O)NC2=CC=CC=C2C(=O)N1
InChI
InChI=1S/C10H10N2O2/c1-6-9(13)12-8-5-3-2-4-7(8)10(14)11-6/h2-6H,1H3,(H,11,14)(H,12,13)
InChIKey
LJONQULKOKMKBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52
TPSA
58.2

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
0.9
Consensus LogP
0.77
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.67
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.34

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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