CAS RN: 1469439-69-7
M-5717
Product Availability
Choose a grade to view its available package options.
12 package records12 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260314 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250816 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251207 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250328 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250804 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260206 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250525 | 50mg | In stock | Shanghai | Inquiry |
- Product code: SSC-057805
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 | Shanghai | Inquiry |
1469439-69-7 / 6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
Basic Information
CAS
1469439-69-7
Multi CAS
No
Molecular Formula
C27H31FN4O2
Molecular Weight
462.600000
Exact Mass
462.243104
SMILES
C1CCN(C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)CN5CCOCC5
InChI
InChI=1S/C27H31FN4O2/c28-22-7-8-25-23(17-22)24(27(33)29-9-12-31-10-1-2-11-31)18-26(30-25)21-5-3-20(4-6-21)19-32-13-15-34-16-14-32/h3-8,17-18H,1-2,9-16,19H2,(H,29,33)
InChIKey
BENUHBSJOJMZEE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
16
Fraction Csp3
0.41
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
1
Molar refractivity
131.24
TPSA
57.7
LogP / Solubility
WLOGP
3.7
MLOGP
3.29
XLogP3
3.2
Consensus LogP
3.4
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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