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CAS 1298133-36-4 (R)-N-((3-Methylpyridin-2-yl)methyl)-7′-di(3,5-di-tert-butylphenyl)phosphino-1,1′-spirobiindanyl-7-amine molecular structure lightbox
CAS RN: 1298133-36-4

(R)-N-((3-Methylpyridin-2-yl)methyl)-7′-di(3,5-di-tert-butylphenyl)phosphino-1,1′-spirobiindanyl-7-amine

Product Availability

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260516 10mg / 50mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260426 100mg Out of stock Inquiry
Batchno.20260613 250mg Out of stock Inquiry
Batchno.20251129 50mg Out of stock Inquiry
  • Product code: SSC-036655
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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: min. 98% (>99% ee)
  • 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 1298133-36-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g min. 98% (>99% ee) 0 Out of Stock Shenzhen Inquiry

1298133-36-4 / (3R)-4'-bis(3,5-ditert-butylphenyl)phosphanyl-N-[(3-methyl-2-pyridinyl)methyl]-3,3'-spirobi[1,2-dihydroindene]-4-amine

Standard CAS: 1298133-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1298133-36-4
Multi CAS
No
Molecular Formula
C52H65N2P
Molecular Weight
749.100000
Exact Mass
748.488537
SMILES
CC1=C(N=CC=C1)CNC2=CC=CC3=C2[C@@]4(CC3)CCC5=C4C(=CC=C5)P(C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C52H65N2P/c1-34-17-16-26-53-44(34)33-54-43-20-14-18-35-22-24-52(46(35)43)25-23-36-19-15-21-45(47(36)52)55(41-29-37(48(2,3)4)27-38(30-41)49(5,6)7)42-31-39(50(8,9)10)28-40(32-42)51(11,12)13/h14-21,26-32,54H,22-25,33H2,1-13H3/t52-/m1/s1
InChIKey
XDNYVKUMWMLBJV-OIVUAWODSA-N

Computed Properties

Structural Parameters

Heavy atom count
55
Aromatic heavy atom count
30
Fraction Csp3
0.44
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
240.11
TPSA
24.92

LogP / Solubility

WLOGP
12.13
MLOGP
10.74
XLogP3
15
Consensus LogP
12.62
Log S (ESOL)
-12.13
Class (ESOL)
Insoluble
Log S (Ali)
-14.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.32
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.32

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
7.5

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