CAS RN: 963-39-3
Demoxepam
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.20260320 | 15mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS963-39-3
- Purity/Analytical Methods: >99.0%
963-39-3 / 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one
Basic Information
CAS
963-39-3
Multi CAS
Yes
Molecular Formula
C15H11CLN2O2
Molecular Weight
286.710000
Exact Mass
286.050905
InChI
InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8,20H,9H2
InChIKey
PSADRZMLSXCSAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.68
TPSA
52.9
LogP / Solubility
WLOGP
1.35
MLOGP
1.2
XLogP3
2.3
Consensus LogP
1.62
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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