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CAS 174467-31-3 (S,S)-(-)-2,2′-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1′-bis(diphenylphosphino)ferrocene molecular structure lightbox
CAS RN: 174467-31-3

(S,S)-(-)-2,2′-Bis[(R)-(N,N-dimethylamino)(phenyl)methyl]-1,1′-bis(diphenylphosphino)ferrocene

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251201 100mg In stock Shenzhen, Chengdu Inquiry
Batchno.20260623 1g In stock Shanghai Inquiry
Batchno.20260115 250mg Out of stock Inquiry
Batchno.20260420 50mg In stock Chengdu Inquiry
Batchno.20251108 50mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-076526
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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: 0.25g
  • 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 174467-31-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

174467-31-3 / bis(1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron

Standard CAS: 174467-31-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174467-31-3
Multi CAS
No
Molecular Formula
C52H60FeN2P2
Molecular Weight
830.800000
Exact Mass
830.358109
SMILES
CN(C)C(C1CCCC1P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.CN(C)C(C1CCCC1P(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Fe]
InChI
InChI=1S/2C26H30NP.Fe/c2*1-27(2)26(21-13-6-3-7-14-21)24-19-12-20-25(24)28(22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h2*3-11,13-18,24-26H,12,19-20H2,1-2H3;
InChIKey
XFBHAASESPONRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
57
Aromatic heavy atom count
36
Fraction Csp3
0.31
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
246.14
TPSA
6.48

LogP / Solubility

WLOGP
11.18
MLOGP
9.91
XLogP3
11.18
Consensus LogP
10.76
Log S (ESOL)
-11.71
Class (ESOL)
Insoluble
Log S (Ali)
-14.44
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.78
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.15

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

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