CAS RN: 137529-43-2
trans,trans-3,4,5-Trifluoro-4′-(4′-pentylbicyclohexyl-4-yl)biphenyl
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260110 | 200mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260428 | 100g | In stock | Shenzhen | Inquiry | |
| Batchno.20251218 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260416 | 25g | In stock | Shenzhen, Wuhan, Chengdu | Inquiry | |
| Batchno.20260121 | 5g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: SSC-047228
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: ≥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 |
|---|---|---|---|---|
| 25g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
137529-43-2 / 1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
Basic Information
CAS
137529-43-2
Multi CAS
No
Molecular Formula
C29H37F3
Molecular Weight
442.600000
Exact Mass
442.284736
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)C4=CC(=C(C(=C4)F)F)F
InChI
InChI=1S/C29H37F3/c1-2-3-4-5-20-6-8-21(9-7-20)22-10-12-23(13-11-22)24-14-16-25(17-15-24)26-18-27(30)29(32)28(31)19-26/h14-23H,2-13H2,1H3
InChIKey
SFGFJCGJXSZYHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.59
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
126.04
TPSA
0.0000
LogP / Solubility
WLOGP
9.43
MLOGP
8.33
XLogP3
11.3
Consensus LogP
9.69
Log S (ESOL)
-8.34
Class (ESOL)
Insoluble
Log S (Ali)
-10
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.21
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.28
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
3
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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)
