CAS RN: 209984-56-5
DIBENZAZEPINE
Product Availability
Choose a grade to view its available package options.
9 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250529 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260226 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260403 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250701 | 1mg / 5mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260420 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251202 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20260223 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20250403 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250923 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS209984-56-5
- Purity/Analytical Methods: >99.0%
209984-56-5 / (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]propanamide
Basic Information
CAS
209984-56-5
Multi CAS
No
Molecular Formula
C26H23F2N3O3
Molecular Weight
463.500000
Exact Mass
463.170748
SMILES
C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)NC(=O)CC4=CC(=CC(=C4)F)F
InChI
InChI=1S/C26H23F2N3O3/c1-15(29-23(32)13-16-11-17(27)14-18(28)12-16)25(33)30-24-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(24)34/h3-12,14-15,24H,13H2,1-2H3,(H,29,32)(H,30,33)/t15-,24-/m0/s1
InChIKey
QSHGISMANBKLQL-OWJWWREXSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
123.84
TPSA
78.51
LogP / Solubility
WLOGP
3.51
MLOGP
3.12
XLogP3
3.6
Consensus LogP
3.41
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.19
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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