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CAS 228121-39-9 (-)-1,2-Bis((2R,5R)-2,5-diethylphospholano)benzene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate molecular structure lightbox
CAS RN: 228121-39-9

(-)-1,2-Bis((2R,5R)-2,5-diethylphospholano)benzene(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 100mg In stock Shanghai Inquiry
Batchno.20250331 1g Out of stock Inquiry
Batchno.20260612 250mg In stock Shanghai Inquiry
Batchno.20250828 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-111047
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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: ＞97%
  • 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 228121-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

228121-39-9 / (1Z,5Z)-cycloocta-1,5-diene;(2R,5R)-1-[2-[(2R,5R)-2,5-diethylphospholan-1-yl]phenyl]-2,5-diethylphospholane;rhodium;tetrafluoroborate

Standard CAS: 228121-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
228121-39-9
Multi CAS
No
Molecular Formula
C30H48BF4P2Rh-
Molecular Weight
660.400000
Exact Mass
660.231540
SMILES
[B-](F)(F)(F)F.CC[C@H]1P([C@@H](CC1)CC)C2=CC=CC=C2P3[C@@H](CC[C@H]3CC)CC.C1/C=C\CC/C=C\C1.[Rh]
InChI
InChI=1S/C22H36P2.C8H12.BF4.Rh/c1-5-17-13-14-18(6-2)23(17)21-11-9-10-12-22(21)24-19(7-3)15-16-20(24)8-4;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h9-12,17-20H,5-8,13-16H2,1-4H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t17-,18-,19-,20-;;;/m1.../s1
InChIKey
XIOPHSBHVOCZMM-KYOOHHHUSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
161.27
TPSA
0.0000

LogP / Solubility

WLOGP
10.57
MLOGP
9.36
XLogP3
10.57
Consensus LogP
10.17
Log S (ESOL)
-10.32
Class (ESOL)
Insoluble
Log S (Ali)
-12.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.45
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.76

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
6.5

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