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CAS 131796-58-2 DIRHODIUM (II) TETRAKIS(METHYL 2-PYRROLIDONE-5(R)-CARBOXYLATE)ACETONITRILE/2-PROPANOL COMPLEX molecular structure lightbox
CAS RN: 131796-58-2

DIRHODIUM (II) TETRAKIS(METHYL 2-PYRROLIDONE-5(R)-CARBOXYLATE)ACETONITRILE/2-PROPANOL COMPLEX

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250729 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-038906
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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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 131796-58-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

131796-58-2 / tetrakis(methyl (2R)-5-oxopyrrolidin-1-ide-2-carboxylate);bis(rhodium(2+))

Standard CAS: 131796-58-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
131796-58-2
Multi CAS
No
Molecular Formula
C24H32N4O12Rh2
Molecular Weight
774.300000
Exact Mass
774.012660
SMILES
COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.COC(=O)[C@H]1CCC(=O)[N-]1.[Rh+2].[Rh+2]
InChI
InChI=1S/4C6H9NO3.2Rh/c4*1-10-6(9)4-2-3-5(8)7-4;;/h4*4H,2-3H2,1H3,(H,7,8);;/q;;;;2*+2/p-4/t4*4-;;/m1111../s1
InChIKey
BJHLPXCDLYHGIN-WTODAKLXSA-J

Computed Properties

Structural Parameters

Heavy atom count
42
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
12
Molar refractivity
133.62
TPSA
229.88

LogP / Solubility

WLOGP
0.88
MLOGP
0.85
XLogP3
0.88
Consensus LogP
0.87
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
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)
-6.82

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
6.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

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