![CAS 1505453-59-7 2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1505453-59-7.gif)
CAS RN: 1505453-59-7
2-[8-Chloro-6-(4-chloro-phenyl)-1-Methyl-4H-3-oxa-2,5-diaza-benzo[e]azulen-4-yl]-acetaMide
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.20250506 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-060488
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1505453-59-7 / 2-[(4S)-6-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide
Basic Information
CAS
1505453-59-7
Multi CAS
No
Molecular Formula
C24H20ClN5O2
Molecular Weight
445.900000
Exact Mass
445.130553
SMILES
CC1=NOC2=C1C3=C(C=C(C=C3)C4=CN(N=C4)C)C(=N[C@H]2CC(=O)N)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H20ClN5O2/c1-13-22-18-8-5-15(16-11-27-30(2)12-16)9-19(18)23(14-3-6-17(25)7-4-14)28-20(10-21(26)31)24(22)32-29-13/h3-9,11-12,20H,10H2,1-2H3,(H2,26,31)/t20-/m0/s1
InChIKey
QFLGNZXBWIQDLQ-FQEVSTJZSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
22
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
122.52
TPSA
99.3
LogP / Solubility
WLOGP
4.47
MLOGP
3.96
XLogP3
3
Consensus LogP
3.81
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.27
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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