CAS RN: 1515856-92-4
XEN445
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250718 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250830 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251231 | 10mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250901 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250301 | 1mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250322 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260114 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20251215 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251025 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-061401
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 | Hong Kong | Inquiry |
1515856-92-4 / 2-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]-5-(trifluoromethyl)benzoic acid
Basic Information
CAS
1515856-92-4
Multi CAS
No
Molecular Formula
C18H17F3N2O3
Molecular Weight
366.300000
Exact Mass
366.119127
SMILES
C1CN(C[C@H]1OCC2=CC=CC=N2)C3=C(C=C(C=C3)C(F)(F)F)C(=O)O
InChI
InChI=1S/C18H17F3N2O3/c19-18(20,21)12-4-5-16(15(9-12)17(24)25)23-8-6-14(10-23)26-11-13-3-1-2-7-22-13/h1-5,7,9,14H,6,8,10-11H2,(H,24,25)/t14-/m0/s1
InChIKey
NBGRERFNOKZQLO-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.05
TPSA
62.66
LogP / Solubility
WLOGP
3.59
MLOGP
3.18
XLogP3
3
Consensus LogP
3.26
Log S (ESOL)
-4.39
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
Class (SILICOS-IT)
Slightly soluble
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)
-2.4
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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