CAS RN: 219766-25-3
ANA12
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260619 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260209 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250323 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250813 | 1mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250918 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260327 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260428 | 5mg | In stock | Shanghai | Inquiry |
| Batchno.20250524 | 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: SSC-105702
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
219766-25-3 / N-[2-[(2-oxoazepan-3-yl)carbamoyl]phenyl]-1-benzothiophene-2-carboxamide
Basic Information
CAS
219766-25-3
Multi CAS
No
Molecular Formula
C22H21N3O3S
Molecular Weight
407.500000
Exact Mass
407.130363
SMILES
C1CCNC(=O)C(C1)NC(=O)C2=CC=CC=C2NC(=O)C3=CC4=CC=CC=C4S3
InChI
InChI=1S/C22H21N3O3S/c26-20(25-17-10-5-6-12-23-21(17)27)15-8-2-3-9-16(15)24-22(28)19-13-14-7-1-4-11-18(14)29-19/h1-4,7-9,11,13,17H,5-6,10,12H2,(H,23,27)(H,24,28)(H,25,26)
InChIKey
TUSCYCAIGRVBMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
15
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
114.34
TPSA
87.3
LogP / Solubility
WLOGP
3.55
MLOGP
3.15
XLogP3
4.2
Consensus LogP
3.63
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
Class (SILICOS-IT)
Slightly soluble
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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