CAS RN: 1259296-46-2
MPI_5a
Product Availability
Choose a grade to view its available package options.
14 package records11 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250919 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260602 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20250223 | 1g | Out of stock | Inquiry | ||
| Batchno.20250116 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20260328 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250212 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250411 | 25mg / 50mg / 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250222 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250721 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-031308
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
1259296-46-2 / N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
Basic Information
CAS
1259296-46-2
Multi CAS
No
Molecular Formula
C16H17N3O3
Molecular Weight
299.320000
Exact Mass
299.126991
SMILES
CN1C=CC=C1C(=O)N2CCC3=C(C2)C=CC(=C3)C(=O)NO
InChI
InChI=1S/C16H17N3O3/c1-18-7-2-3-14(18)16(21)19-8-6-11-9-12(15(20)17-22)4-5-13(11)10-19/h2-5,7,9,22H,6,8,10H2,1H3,(H,17,20)
InChIKey
NNQAQGDSGCGFER-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
79.55
TPSA
74.57
LogP / Solubility
WLOGP
1.34
MLOGP
1.19
XLogP3
0.8
Consensus LogP
1.11
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59
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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