CAS RN: 2169919-97-3
2169919-97-3
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260617 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-104428
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
2169919-97-3 / 2-(4-chloropyrimidin-5-yl)oxy-5-fluoro-N,N-di(propan-2-yl)benzamide
Basic Information
CAS
2169919-97-3
Multi CAS
No
Molecular Formula
C17H19ClFN3O2
Molecular Weight
351.800000
Exact Mass
351.114983
SMILES
CC(C)N(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2Cl
InChI
InChI=1S/C17H19ClFN3O2/c1-10(2)22(11(3)4)17(23)13-7-12(19)5-6-14(13)24-15-8-20-9-21-16(15)18/h5-11H,1-4H3
InChIKey
DDYHEQVMLVMWJA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
89.96
TPSA
55.32
LogP / Solubility
WLOGP
4.32
MLOGP
3.82
XLogP3
3.9
Consensus LogP
4.01
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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