![CAS 5814-41-5 5,10-DIHYDRO-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5814-41-5.gif)
CAS RN: 5814-41-5
5,10-DIHYDRO-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251213 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS5814-41-5
- Purity/Analytical Methods: >99.0%
5814-41-5 / 5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
Basic Information
CAS
5814-41-5
Multi CAS
Yes
Molecular Formula
C13H10N2O
Molecular Weight
210.230000
Exact Mass
210.079313
InChI
InChI=1S/C13H10N2O/c16-13-9-5-1-2-6-10(9)14-11-7-3-4-8-12(11)15-13/h1-8,14H,(H,15,16)
InChIKey
KVVFXAAMMFTLGN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
H-bond acceptors
2
H-bond donors
2
Molar refractivity
64.12
TPSA
41.13
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
2.4
Consensus LogP
2.68
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 5817-70-9
- Product Code: starshine_CAS5817-70-9
- Purity/Analytical method: >99.0%
