![CAS 103373-62-2 (E/Z)-3-(hydroxyimino)-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/103373-62-2.gif)
CAS RN: 103373-62-2
(E/Z)-3-(hydroxyimino)-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one
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.20260523 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS103373-62-2
- Purity/Analytical Methods: >99.0%
103373-62-2 / 3-hydroxyimino-1-methyl-5-phenyl-1,4-benzodiazepin-2-one
1H-1,4-Benzodiazepine-2,3-dione, 1-methyl-5-phenyl-, 3-oxime | 3-hydroxyimino-1-methyl-5-phenyl-1,4-benzodiazepin-2-one | Oprea1_075751
Basic Information
CAS
103373-62-2
Multi CAS
Yes
Molecular Formula
C16H13N3O2
Molecular Weight
279.290000
Exact Mass
279.100777
SMILES
CN1C2=CC=CC=C2C(=NC(=NO)C1=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O2/c1-19-13-10-6-5-9-12(13)14(11-7-3-2-4-8-11)17-15(18-21)16(19)20/h2-10,21H,1H3
InChIKey
IWAZSWIKBKIQDB-UHFFFAOYSA-N
Synonyms
1H-1,4-Benzodiazepine-2,3-dione, 1-methyl-5-phenyl-, 3-oxime
3-hydroxyimino-1-methyl-5-phenyl-1,4-benzodiazepin-2-one
Oprea1_075751
SCHEMBL9378910
DTXSID30401642
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
79.77
TPSA
67.48
LogP / Solubility
WLOGP
1.89
MLOGP
1.67
XLogP3
2.5
Consensus LogP
2.02
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.22
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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