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CAS 849950-53-4 (+)-1,2-BIS((2S,5S)-2,5-DIPHENYLPHOSPHOLANO)ETHANE(1,5-CYCLOOCTADIENE)RHODIUM (I) TETRAFLUOROBORATE molecular structure lightbox
CAS RN: 849950-53-4

(+)-1,2-BIS((2S,5S)-2,5-DIPHENYLPHOSPHOLANO)ETHANE(1,5-CYCLOOCTADIENE)RHODIUM (I) TETRAFLUOROBORATE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250116 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20251105 1g In stock Shanghai Inquiry
Batchno.20250719 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251012 50mg In stock Shanghai Inquiry
Batchno.20260429 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-192806
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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: ＞98%
  • 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 849950-53-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞98% 0 Out of Stock Shanghai Inquiry

849950-53-4 / (1Z,5Z)-cycloocta-1,5-diene;(2S,5S)-1-[2-[(2S,5S)-2,5-diphenylphospholan-1-yl]ethyl]-2,5-diphenylphospholane;rhodium;tetrafluoroborate

Standard CAS: 849950-53-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
849950-53-4
Multi CAS
Yes
Molecular Formula
BC42F4H48P2Rh
Molecular Weight
804.500000
Exact Mass
804.231540
InChI
InChI=1S/C34H36P2.C8H12.BF4.Rh/c1-5-13-27(14-6-1)31-21-22-32(28-15-7-2-8-16-28)35(31)25-26-36-33(29-17-9-3-10-18-29)23-24-34(36)30-19-11-4-12-20-30;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-20,31-34H,21-26H2;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t31-,32-,33-,34-;;;/m0.../s1
InChIKey
ZNZBTPZGQIGMKZ-NSSKQOQASA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
24
Fraction Csp3
0.33
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
205.71
TPSA
0.0000

LogP / Solubility

WLOGP
14.47
MLOGP
12.81
XLogP3
14.47
Consensus LogP
13.92
Log S (ESOL)
-13.84
Class (ESOL)
Insoluble
Log S (Ali)
-16.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.65

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
8

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