CAS RN: 1440209-96-0
BRD73954
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.20260328 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250517 | 10mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250518 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20251003 | 1mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250821 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250519 | 25mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250309 | 25mg / 100mg / 500mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20251001 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251021 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-055285
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 | Beijing | Inquiry |
1440209-96-0 / 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
Basic Information
CAS
1440209-96-0
Multi CAS
No
Molecular Formula
C16H16N2O3
Molecular Weight
284.310000
Exact Mass
284.116092
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)C(=O)NO
InChI
InChI=1S/C16H16N2O3/c19-15(17-10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(20)18-21/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)
InChIKey
FIHKWEQJEDRIFS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
78.17
TPSA
78.43
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1.9
Consensus LogP
1.75
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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