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CAS 849923-15-5 (S)-1-{(R)-2-[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINO]-FERROCENYL}ETHYLDICY molecular structure lightbox
CAS RN: 849923-15-5

(S)-1-{(R)-2-[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINO]-FERROCENYL}ETHYLDICY

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251230 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250807 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20250304 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260311 250mg In stock Shanghai Inquiry
Batchno.20250104 5g In stock Shanghai Inquiry
  • Product code: SSC-192769
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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 849923-15-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

849923-15-5 / (S)-1-{(R)-2-[BIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINO]-FERROCENYL}ETHYLDICY

Standard CAS: 849923-15-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
849923-15-5
Multi CAS
Yes
Molecular Formula
C40H40F12FEP2
Molecular Weight
866.500000
Exact Mass
866.176299
InChI
InChI=1S/C35H35F12P2.C5H5.Fe/c1-21(48(26-9-4-2-5-10-26)27-11-6-3-7-12-27)30-13-8-14-31(30)49(28-17-22(32(36,37)38)15-23(18-28)33(39,40)41)29-19-24(34(42,43)44)16-25(20-29)35(45,46)47;1-2-4-5-3-1;/h8,13-21,26-27H,2-7,9-12H2,1H3;1-5H;/t21-;;/m0../s1
InChIKey
QRWXESUNHGCSDF-FGJQBABTSA-N

Computed Properties

Structural Parameters

Heavy atom count
55
Aromatic heavy atom count
12
Fraction Csp3
0.45
Rotatable bonds
7
H-bond acceptors
12
Molar refractivity
190.09
TPSA
0.0000

LogP / Solubility

WLOGP
13.48
MLOGP
11.94
XLogP3
13.48
Consensus LogP
12.97
Log S (ESOL)
-13.41
Class (ESOL)
Insoluble
Log S (Ali)
-16.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.32
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)
1.57

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

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