CAS RN: 2289691-01-4
MYCi975
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250210 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260216 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250115 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
| Batchno.20260118 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250623 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250617 | 50mg | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: SSC-111437
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2289691-01-4 / 3-[(4-chlorophenyl)methoxy]-2-[4-chloro-3-(trifluoromethyl)phenyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
Basic Information
CAS
2289691-01-4
Multi CAS
No
Molecular Formula
C25H16Cl2F6N2O2
Molecular Weight
561.300000
Exact Mass
560.049302
SMILES
CN1C(=CC(=N1)C(F)(F)F)C2=C(C(=C(C=C2)OCC3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)C(F)(F)F)O
InChI
InChI=1S/C25H16Cl2F6N2O2/c1-35-19(11-21(34-35)25(31,32)33)16-7-9-20(37-12-13-2-5-15(26)6-3-13)22(23(16)36)14-4-8-18(27)17(10-14)24(28,29)30/h2-11,36H,12H2,1H3
InChIKey
VSDFDVBYONIJLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
23
Fraction Csp3
0.16
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
126.54
TPSA
47.28
LogP / Solubility
WLOGP
8.38
MLOGP
7.42
XLogP3
7.7
Consensus LogP
7.83
Log S (ESOL)
-8.73
Class (ESOL)
Insoluble
Log S (Ali)
-10.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.87
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.19
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
4.5
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