![CAS 179162-34-6 TETRAKIS[(S)-(-)-N-(P-DODECYLPHENYLSULFONYL)PROLINATO]DIRHODIUM(II) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/179162-34-6.gif)
CAS RN: 179162-34-6
TETRAKIS[(S)-(-)-N-(P-DODECYLPHENYLSULFONYL)PROLINATO]DIRHODIUM(II)
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260521 | 100mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260213 | 1g | Out of stock | Inquiry | ||
| Batchno.20250203 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250303 | 50mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry | |
| Batchno.20250726 | 50mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS179162-34-6
- Purity/Analytical Methods: >99.0%
179162-34-6 / tetrakis((2S)-1-(4-dodecylphenyl)sulfonylpyrrolidine-2-carboxylate);bis(rhodium(2+))
Basic Information
CAS
179162-34-6
Multi CAS
No
Molecular Formula
C92H144N4O16Rh2S4
Molecular Weight
1896.200000
Exact Mass
1894.757010
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)[O-].[Rh+2].[Rh+2]
InChI
InChI=1S/4C23H37NO4S.2Rh/c4*1-2-3-4-5-6-7-8-9-10-11-13-20-15-17-21(18-16-20)29(27,28)24-19-12-14-22(24)23(25)26;;/h4*15-18,22H,2-14,19H2,1H3,(H,25,26);;/q;;;;2*+2/p-4/t4*22-;;/m0000../s1
InChIKey
VHPFUKPTIAZHHL-JOECBHQBSA-J
Computed Properties
Structural Parameters
Heavy atom count
118
Aromatic heavy atom count
24
Fraction Csp3
0.7
Rotatable bonds
56
H-bond acceptors
16
Molar refractivity
455.64
TPSA
310.04
LogP / Solubility
WLOGP
16.21
MLOGP
14.47
XLogP3
16.21
Consensus LogP
15.63
Log S (ESOL)
-18.26
Class (ESOL)
Insoluble
Log S (Ali)
-26.81
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-32.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8.5
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