CAS RN: 54699-91-1
LORAZEPAM IMPURITY D
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.20250507 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS54699-91-1
- Purity/Analytical Methods: >99.0%
54699-91-1 / 7-chloro-5-(2-chlorophenyl)-4,5-dihydro-1H-1,4-benzodiazepine-2,3-dione
Basic Information
CAS
54699-91-1
Multi CAS
No
Molecular Formula
C15H10CL2N2O2
Molecular Weight
321.200000
Exact Mass
320.011933
InChI
InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,13H,(H,18,20)(H,19,21)
InChIKey
QVUVOEFASMHBFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
81.52
TPSA
58.2
LogP / Solubility
WLOGP
3.15
MLOGP
2.79
XLogP3
3.3
Consensus LogP
3.08
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
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
3
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