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CAS 849773-96-2 1,1Bis((2R,5R)-2,5-di-i-propylphospholano)ferrocene(cyclooctadiene)rhodium(I) tetrafluoroborate molecular structure lightbox
CAS RN: 849773-96-2

1,1Bis((2R,5R)-2,5-di-i-propylphospholano)ferrocene(cyclooctadiene)rhodium(I) tetrafluoroborate

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250314 100mg Out of stock Inquiry
Batchno.20250527 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250210 1g In stock Shenzhen Inquiry
Batchno.20250625 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-192749
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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 849773-96-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

849773-96-2 / 1,1Bis((2R,5R)-2,5-di-i-propylphospholano)ferrocene(cyclooctadiene)rhodium(I) tetrafluoroborate

Standard CAS: 849773-96-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
849773-96-2
Multi CAS
Yes
Molecular Formula
C38H60BF4FEP2RH
Molecular Weight
824.400000
Exact Mass
824.260370
InChI
InChI=1S/2C15H24P.C8H12.BF4.Fe.Rh/c2*1-11(2)14-9-10-15(12(3)4)16(14)13-7-5-6-8-13;1-2-4-6-8-7-5-3-1;2-1(3,4)5;;/h2*5-8,11-12,14-15H,9-10H2,1-4H3;1-2,7-8H,3-6H2;;;/q;;;-1;;/b;;2-1-,8-7-;;;/t2*14-,15-;;;;/m11..../s1
InChIKey
UKUJMTBLXJURSB-VXMPMTHESA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Fraction Csp3
0.63
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
196.79
TPSA
0.0000

LogP / Solubility

WLOGP
13.91
MLOGP
12.31
XLogP3
13.91
Consensus LogP
13.38
Log S (ESOL)
-13.32
Class (ESOL)
Insoluble
Log S (Ali)
-16.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.28
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)
2.12

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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