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CAS 1459709-16-0 Phosphine, 1,1′-[(1R,3R)-1,3-dimethyl-1,3-propanediyl]bis[1,1-bis[4-(1,1-dimethylethyl)phenyl]- molecular structure lightbox
CAS RN: 1459709-16-0

Phosphine, 1,1′-[(1R,3R)-1,3-dimethyl-1,3-propanediyl]bis[1,1-bis[4-(1,1-dimethylethyl)phenyl]-

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260421 100mg In stock Shanghai Inquiry
Batchno.20260615 1g Out of stock Inquiry
Batchno.20260308 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-057125
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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: ≥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 1459709-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1459709-16-0 / [(2R,4R)-4-bis(4-tert-butylphenyl)phosphanylpentan-2-yl]-bis(4-tert-butylphenyl)phosphane

Standard CAS: 1459709-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1459709-16-0
Multi CAS
No
Molecular Formula
C45H62P2
Molecular Weight
664.900000
Exact Mass
664.432676
SMILES
C[C@H](C[C@@H](C)P(C1=CC=C(C=C1)C(C)(C)C)C2=CC=C(C=C2)C(C)(C)C)P(C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(C=C4)C(C)(C)C
InChI
InChI=1S/C45H62P2/c1-32(46(38-23-15-34(16-24-38)42(3,4)5)39-25-17-35(18-26-39)43(6,7)8)31-33(2)47(40-27-19-36(20-28-40)44(9,10)11)41-29-21-37(22-30-41)45(12,13)14/h15-30,32-33H,31H2,1-14H3/t32-,33-/m1/s1
InChIKey
NOLMSXJJRKOIOF-CZNDPXEESA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.47
Rotatable bonds
8
Molar refractivity
216.48
TPSA
0.0000

LogP / Solubility

WLOGP
11.61
MLOGP
10.27
XLogP3
13.8
Consensus LogP
11.89
Log S (ESOL)
-11.13
Class (ESOL)
Insoluble
Log S (Ali)
-13.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.58
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)
1.47

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
5.5

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