![CAS 2118959-55-8 Phosphine, dicyclohexyl[3-(1-methylethoxy)-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2118959-55-8.png)
CAS RN: 2118959-55-8
Phosphine, dicyclohexyl[3-(1-methylethoxy)-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]-
- Product code: SSC-101204
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 1g, 5g, 10g, 25g, 0.25g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 5 In Stock | Beijing | Inquiry |
| 1g | >95% | 5 In Stock | Hong Kong | Inquiry |
| 5g | >95% | 5 In Stock | Beijing | Inquiry |
| 10g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 25g | >95% | 5 In Stock | Beijing | Inquiry |
| 0.25g | >95% | 1 In Stock | Hong Kong | Inquiry |
2118959-55-8 / dicyclohexyl-[2-propan-2-yloxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
Basic Information
CAS
2118959-55-8
Multi CAS
No
Molecular Formula
C36H55OP
Molecular Weight
534.800000
Exact Mass
534.399053
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C(=CC=C2)OC(C)C)P(C3CCCCC3)C4CCCCC4)C(C)C
InChI
InChI=1S/C36H55OP/c1-24(2)28-22-32(25(3)4)35(33(23-28)26(5)6)31-20-15-21-34(37-27(7)8)36(31)38(29-16-11-9-12-17-29)30-18-13-10-14-19-30/h15,20-27,29-30H,9-14,16-19H2,1-8H3
InChIKey
FDAKNRLXSJBEFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
9
H-bond acceptors
1
Molar refractivity
170.21
TPSA
9.23
LogP / Solubility
WLOGP
11.28
MLOGP
9.97
XLogP3
10.9
Consensus LogP
10.72
Log S (ESOL)
-9.9
Class (ESOL)
Insoluble
Log S (Ali)
-12.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.58
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)
2.03
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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