![CAS 1223498-50-7 4-[[(2R,3R)-3-(Benzyloxy)-2-butyl]oxy]-2-chloro-5-(trifluoromethyl)pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1223498-50-7.gif)
CAS RN: 1223498-50-7
4-[[(2R,3R)-3-(Benzyloxy)-2-butyl]oxy]-2-chloro-5-(trifluoromethyl)pyrimidine
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.20251101 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-025298
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 | Shenzhen | Inquiry |
1223498-50-7 / 2-chloro-4-[(2R,3R)-3-phenylmethoxybutan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
Basic Information
CAS
1223498-50-7
Multi CAS
No
Molecular Formula
C16H16ClF3N2O2
Molecular Weight
360.760000
Exact Mass
360.085240
SMILES
C[C@H]([C@@H](C)OC1=NC(=NC=C1C(F)(F)F)Cl)OCC2=CC=CC=C2
InChI
InChI=1S/C16H16ClF3N2O2/c1-10(23-9-12-6-4-3-5-7-12)11(2)24-14-13(16(18,19)20)8-21-15(17)22-14/h3-8,10-11H,9H2,1-2H3/t10-,11-/m1/s1
InChIKey
IEMJDGAUPKXAFK-GHMZBOCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
82.83
TPSA
44.24
LogP / Solubility
WLOGP
4.52
MLOGP
4
XLogP3
4.6
Consensus LogP
4.37
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.48
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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