![CAS 2001054-66-4 Tetrakis[N-tetrachlorophthaloyl-(R)-tert-leucinato]dirhodium Bis(ethyl Acetate) Adduct molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t2658-jpgcontextbwfzdgvyfhjvb3r8ndu3odf8aw1hz2uvanblz3xoyjgvadm4lzg5mzi2mdqzmtm2mzavvdi2ntguanbnfdi4owrmzwy3zmfimjyxmwrkyzy4ytdjyjyxmjfkngfmndrmzjzknwmymzaxnzgzzwq3zgm1nwy1ytbhmtmzmzk.jpeg)
CAS RN: 2001054-66-4
Tetrakis[N-tetrachlorophthaloyl-(R)-tert-leucinato]dirhodium Bis(ethyl Acetate) Adduct
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250114 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTT2658
- Purity/Analytical Methods: >98.0%(HPLC)
2001054-66-4 / tetrakis(3,3-dimethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)butanoate);ethyl acetate;bis(rhodium(2+))
Basic Information
CAS
2001054-66-4
Multi CAS
No
Molecular Formula
C64H56Cl16N4O20Rh2
Molecular Weight
1974.200000
Exact Mass
1973.649620
SMILES
CCOC(=O)C.CCOC(=O)C.CC(C)(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl.CC(C)(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl.CC(C)(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl.CC(C)(C)C(C(=O)[O-])N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl.[Rh+2].[Rh+2]
InChI
InChI=1S/4C14H11Cl4NO4.2C4H8O2.2Rh/c4*1-14(2,3)10(13(22)23)19-11(20)4-5(12(19)21)7(16)9(18)8(17)6(4)15;2*1-3-6-4(2)5;;/h4*10H,1-3H3,(H,22,23);2*3H2,1-2H3;;/q;;;;;;2*+2/p-4
InChIKey
GJJWKGUDHSMMRL-UHFFFAOYSA-J
Computed Properties
Structural Parameters
Heavy atom count
106
Aromatic heavy atom count
24
Fraction Csp3
0.41
Rotatable bonds
10
H-bond acceptors
20
Molar refractivity
385.54
TPSA
362.64
LogP / Solubility
WLOGP
13.38
MLOGP
11.98
XLogP3
13.38
Consensus LogP
12.91
Log S (ESOL)
-20.02
Class (ESOL)
Insoluble
Log S (Ali)
-25.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.8
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)
-5.27
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
Customers Also Viewed
-
![CAS 929896-28-6 Bis(acetato)aqua[(S,S)-4,6-bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene]rhodium molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Bis(acetato)aqua[(S,S)-4,6-bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene]rhodium
- CAS RN: 929896-28-6
- Product Code: ICTB4195
-
-
-
-
Carbonylhydridotris(triphenylphosphine)rhodium(I)
- CAS RN: 17185-29-4
- Product Code: SSC-075620
-
![CAS 929896-28-6 Bis(acetato)aqua[(S,S)-4,6-bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene]rhodium molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4195-jpgcontextbwfzdgvyfhjvb3r8ndu1ndj8aw1hz2uvanblz3xozdyvadvmlzg5mjkwmzg4otmwodyvqjqxotuuanbnfdbjy2fjmdzjzti0zdy0mzg5zwjlymjlotdkmzm3m2e5ywy5ndfiogvhmjc0mjbjztnimdbkn2uzzjbjzty3oda.jpeg)
