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CAS 187733-50-2 (R)-1-[(S)-2-[BIS(4-METHOXY-3,5-DIMETHYLPHENYL)PHOSPHINO]FERROCENYL}ETHYLDI-TERT molecular structure lightbox
CAS RN: 187733-50-2

(R)-1-[(S)-2-[BIS(4-METHOXY-3,5-DIMETHYLPHENYL)PHOSPHINO]FERROCENYL}ETHYLDI-TERT

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-087267
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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 187733-50-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

187733-50-2 / (R)-1-[(S)-2-[BIS(4-METHOXY-3,5-DIMETHYLPHENYL)PHOSPHINO]FERROCENYL}ETHYLDI-TERT

Standard CAS: 187733-50-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187733-50-2
Multi CAS
No
Molecular Formula
C38H52FeO2P2
Molecular Weight
658.600000
Exact Mass
658.279190
SMILES
CC1=CC(=CC(=C1OC)C)P(C2=CC=C[C]2[C@@H](C)P(C(C)(C)C)C(C)(C)C)C3=CC(=C(C(=C3)C)OC)C.C1=C[CH]C=C1.[Fe]
InChI
InChI=1S/C33H47O2P2.C5H5.Fe/c1-21-17-26(18-22(2)30(21)34-12)36(27-19-23(3)31(35-13)24(4)20-27)29-16-14-15-28(29)25(5)37(32(6,7)8)33(9,10)11;1-2-4-5-3-1;/h14-20,25H,1-13H3;1-5H;/t25-;;/m1../s1
InChIKey
UALLLNAXGQTBJA-KHZPMNTOSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
190.06
TPSA
18.46

LogP / Solubility

WLOGP
10.18
MLOGP
9.01
XLogP3
10.18
Consensus LogP
9.79
Log S (ESOL)
-10.08
Class (ESOL)
Insoluble
Log S (Ali)
-12.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.23
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)
0.49

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
5

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