CAS RN: 1221349-53-6
TC-I 2014
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250424 | 10mg | In stock | Inquiry | |
| Batchno.20260520 | 1mg | In stock | Inquiry | |
| Batchno.20250530 | 25mg | In stock | Inquiry | |
| Batchno.20260617 | 50mg | In stock | Inquiry | |
| Batchno.20250311 | 5mg | In stock | Inquiry | |
| Batchno.20250614 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-025095
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1221349-53-6 / 3-[4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-1-oxa-2-azaspiro[4.5]dec-2-ene
Basic Information
CAS
1221349-53-6
Multi CAS
No
Molecular Formula
C23H19F6N3O
Molecular Weight
467.400000
Exact Mass
467.143231
SMILES
C1CCC2(CC1)CC(=NO2)C3=NC4=C(C=C(C=C4N3)C5=CC=CC=C5C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31)
InChIKey
VSMFCZZEKTVDHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
15
Fraction Csp3
0.39
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
109.59
TPSA
50.27
LogP / Solubility
WLOGP
7.09
MLOGP
6.28
XLogP3
6.7
Consensus LogP
6.69
Log S (ESOL)
-7.41
Class (ESOL)
Insoluble
Log S (Ali)
-8.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.83
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-0.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
-
Methyl 2-(2-fluorophenyl)thiazole-4-carboxylate
- CAS RN: 1221403-87-7
- Product Code: SSC-025098
-
-
-
exo-5-Amino-cis-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
- CAS RN: 1221439-83-3
- Product Code: SSC-025106
-
N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1S,2S)-2-(diMethylaMino)cyclohexyl]-Urea
- CAS RN: 1221442-12-1
- Product Code: SSC-025107
![CAS 1221439-83-3 exo-5-Amino-cis-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221439-83-3.gif)
![CAS 1221442-12-1 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1S,2S)-2-(diMethylaMino)cyclohexyl]-Urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1221442-12-1.gif)