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CAS 157772-65-1 1,1′-BIS(DI-I-PROPYLPHOSPHINO)FERROCENE(1,5-CYCLOOCTADIENE)RHODIUM (I) TETRAFLUOROBORATE molecular structure lightbox
CAS RN: 157772-65-1

1,1′-BIS(DI-I-PROPYLPHOSPHINO)FERROCENE(1,5-CYCLOOCTADIENE)RHODIUM (I) TETRAFLUOROBORATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260303 1g Out of stock 15 business days Inquiry
  • Product code: SSC-066551
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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 157772-65-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

157772-65-1 / 1,1′-BIS(DI-I-PROPYLPHOSPHINO)FERROCENE(1,5-CYCLOOCTADIENE)RHODIUM (I) TETRAFLUOROBORATE

Standard CAS: 157772-65-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
157772-65-1
Multi CAS
No
Molecular Formula
C30H48BF4FeP2Rh-
Molecular Weight
716.200000
Exact Mass
716.166470
SMILES
[B-](F)(F)(F)F.CC(P(C(C)C)C1=CC=C[CH]1)C.CC(P(C(C)C)C1=CC=C[CH]1)C.C1/C=C\CC/C=C\C1.[Fe].[Rh]
InChI
InChI=1S/2C11H18P.C8H12.BF4.Fe.Rh/c2*1-9(2)12(10(3)4)11-7-5-6-8-11;1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*5-10H,1-4H3;1-2,7-8H,3-6H2;;;/q;;;-1;;/b;;2-1-,8-7-;;;
InChIKey
JVIPKMKCCUWUIS-ISVFTUMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
0.53
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
164.36
TPSA
0.0000

LogP / Solubility

WLOGP
11.85
MLOGP
10.49
XLogP3
11.85
Consensus LogP
11.4
Log S (ESOL)
-11.35
Class (ESOL)
Insoluble
Log S (Ali)
-13.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.87
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)
1.33

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
4

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