CAS RN: 915797-21-6

Rhodium, tetrakis[μ-[(αS)-4,5,6,7-tetrachloro-1,3-dihydro-1,3-dioxo-α-tricyclo[3.3.1.13,7]dec-1-yl-2H-isoindole-2-acetato-κO2:κO2′]]di-, (Rh-Rh)

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250221 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260626 1g Out of stock Inquiry
Batchno.20260226 250mg In stock Shenzhen, Chengdu Inquiry
Batchno.20250211 50mg In stock Shanghai Inquiry
Batchno.20251031 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS915797-21-6
  • Purity/Analytical Methods: >99.0%
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915797-21-6 / tetrakis((2S)-2-(1-adamantyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetate);bis(rhodium(2+))

Standard CAS: 915797-21-6 Multi CAS: Yes

Basic Information

CAS
915797-21-6
Multi CAS
Yes
Molecular Formula
C80H64CL16N4O16RH2
Molecular Weight
2110.400000
Exact Mass
2109.732560
InChI
InChI=1S/4C20H17Cl4NO4.2Rh/c4*21-12-10-11(13(22)15(24)14(12)23)18(27)25(17(10)26)16(19(28)29)20-4-7-1-8(5-20)3-9(2-7)6-20;;/h4*7-9,16H,1-6H2,(H,28,29);;/q;;;;2*+2/p-4/t4*7?,8?,9?,16-,20?;;/m1111../s1
InChIKey
JFDVMHNQOYVSDK-WONUOBKJSA-J

Computed Properties

Structural Parameters

Heavy atom count
118
Aromatic heavy atom count
24
Fraction Csp3
0.55
Rotatable bonds
12
H-bond acceptors
16
Molar refractivity
425.53
TPSA
310.04

LogP / Solubility

WLOGP
16.92
MLOGP
15.12
XLogP3
16.92
Consensus LogP
16.32
Log S (ESOL)
-22.94
Class (ESOL)
Insoluble
Log S (Ali)
-29.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-28.86
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)
-3.58

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
10

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