CAS RN: 1809885-32-2
EC-5026
Product Availability
Choose a grade to view its available package options.
13 package records13 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251111 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251213 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251026 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250607 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250502 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260320 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251107 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250120 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-082270
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 | Shanghai | Inquiry |
1809885-32-2 / 1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea
Basic Information
CAS
1809885-32-2
Multi CAS
No
Molecular Formula
C18H23F4N3O3
Molecular Weight
405.400000
Exact Mass
405.167554
SMILES
CC[C@H](C)C(=O)N1CCC(CC1)NC(=O)NC2=CC(=C(C=C2)OC(F)(F)F)F
InChI
InChI=1S/C18H23F4N3O3/c1-3-11(2)16(26)25-8-6-12(7-9-25)23-17(27)24-13-4-5-15(14(19)10-13)28-18(20,21)22/h4-5,10-12H,3,6-9H2,1-2H3,(H2,23,24,27)/t11-/m0/s1
InChIKey
LHRXHTKENPCGSZ-NSHDSACASA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
94.29
TPSA
70.67
LogP / Solubility
WLOGP
3.88
MLOGP
3.44
XLogP3
3.7
Consensus LogP
3.67
Log S (ESOL)
-4.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
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
No
Synthetic Accessibility
3
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