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CAS 162412-90-0 1,1Bis((2R,5R)-2,5-diethylphospholano)ferrocene(cyclooctadiene)rhodium(I) tetrafluoroborate molecular structure lightbox
CAS RN: 162412-90-0

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

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250514 100mg In stock Shanghai Inquiry
Batchno.20250701 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20251220 1g In stock Shenzhen Inquiry
Batchno.20260108 250mg In stock Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-069947
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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 162412-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

162412-90-0 / 1,1Bis((2R,5R)-2,5-diethylphospholano)ferrocene(cyclooctadiene)rhodium(I) tetrafluoroborate

Standard CAS: 162412-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162412-90-0
Multi CAS
No
Molecular Formula
C34H52BF4FeP2Rh-
Molecular Weight
768.300000
Exact Mass
768.197770
SMILES
[B-](F)(F)(F)F.CCC1CCC(P1C2=CC=C[CH]2)CC.CCC1CCC(P1C2=CC=C[CH]2)CC.C1CC=CCCC=C1.[Fe].[Rh]
InChI
InChI=1S/2C13H20P.C8H12.BF4.Fe.Rh/c2*1-3-11-9-10-12(4-2)14(11)13-7-5-6-8-13;1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*5-8,11-12H,3-4,9-10H2,1-2H3;1-2,7-8H,3-6H2;;;/q;;;-1;;
InChIKey
JAYXMZKTSPIAND-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Fraction Csp3
0.59
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
178.6
TPSA
0.0000

LogP / Solubility

WLOGP
12.92
MLOGP
11.44
XLogP3
12.92
Consensus LogP
12.43
Log S (ESOL)
-12.35
Class (ESOL)
Insoluble
Log S (Ali)
-15.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.1
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)
1.77

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
7

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