CAS RN: 1831110-54-3
MS023
Product Availability
Choose a grade to view its available package options.
14 package records14 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260109 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251129 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250514 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20251126 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260616 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20251107 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250215 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20260530 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250216 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-084714
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 | Hong Kong | Inquiry |
1831110-54-3 / N'-methyl-N'-[[4-(4-propan-2-yloxyphenyl)-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine
Basic Information
CAS
1831110-54-3
Multi CAS
No
Molecular Formula
C17H25N3O
Molecular Weight
287.400000
Exact Mass
287.199762
SMILES
CC(C)OC1=CC=C(C=C1)C2=CNC=C2CN(C)CCN
InChI
InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
InChIKey
FMTVWAGUJRUAKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
11
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
87.38
TPSA
54.28
LogP / Solubility
WLOGP
2.86
MLOGP
2.53
XLogP3
2
Consensus LogP
2.46
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.98
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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