CAS RN: 137644-54-3
trans,trans-4′-Pentyl-4-(3,4,5-trifluorophenyl)bicyclohexyl
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250922 | 100g | In stock | Shenzhen | Inquiry | |
| Batchno.20260626 | 10g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250528 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250118 | 5g | In stock | Shanghai, Tianjin, Chengdu | Inquiry |
- Product code: SSC-047355
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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥98% | 0 Out of Stock | Beijing | Inquiry |
137644-54-3 / 1,2,3-trifluoro-5-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
Basic Information
CAS
137644-54-3
Multi CAS
No
Molecular Formula
C23H33F3
Molecular Weight
366.500000
Exact Mass
366.253436
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
InChI
InChI=1S/C23H33F3/c1-2-3-4-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h14-19H,2-13H2,1H3
InChIKey
TXHFUCYJBLLNIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.74
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
100.61
TPSA
0.0000
LogP / Solubility
WLOGP
7.76
MLOGP
6.85
XLogP3
9.6
Consensus LogP
8.07
Log S (ESOL)
-6.78
Class (ESOL)
Insoluble
Log S (Ali)
-8.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.21
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 131819-24-4 1,2,3-Trifluoro-5-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3466-jpgcontextbwfzdgvyfhjvb3r8mju0nzd8aw1hz2uvanblz3xoy2uvadk3lzg5mzi3mta3ndqwotqvvdm0njyuanbnfgvmoguxzmixngi4otnhzmvlyzg3njzlytljyjrmzty2ogvjyjjmndixymzizgnhn2u0nzu3ndc2mdniymi2owu.jpeg)
