![CAS 125962-80-3 trans-4′-(p-Tolyl)-[1,1′-bi(cyclohexan)]-4-one molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3465-jpgcontextbwfzdgvyfhjvb3r8mju4mjv8aw1hz2uvanblz3xoymmvadk0lzg5mzi3mta2nzg1ntgvvdm0njuuanbnfgjizgfkyteymwi4ytkynwixywe3yza2mzzjzte4zte3nmyxzdkyzjdjmzk5zgnlmtrlzwriowfmyzjmymrjogu.jpeg)
CAS RN: 125962-80-3
trans-4′-(p-Tolyl)-[1,1′-bi(cyclohexan)]-4-one
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.20250414 | 100g | In stock | Shenzhen, Chengdu | Inquiry |
| Batchno.20250809 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250715 | 1g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250621 | 250mg | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
| Batchno.20260420 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20260130 | 5g | In stock | Shanghai, Wuhan | Inquiry |
- Product code: SSC-031347
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 | Beijing | Inquiry |
125962-80-3 / 4-[4-(4-methylphenyl)cyclohexyl]cyclohexan-1-one
Basic Information
CAS
125962-80-3
Multi CAS
No
Molecular Formula
C19H26O
Molecular Weight
270.400000
Exact Mass
270.198365
SMILES
CC1=CC=C(C=C1)C2CCC(CC2)C3CCC(=O)CC3
InChI
InChI=1S/C19H26O/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-12-19(20)13-11-18/h2-5,16-18H,6-13H2,1H3
InChIKey
KPISRXVEAOLMIF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
82.84
TPSA
17.07
LogP / Solubility
WLOGP
5.03
MLOGP
4.43
XLogP3
5
Consensus LogP
4.82
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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