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CAS 121457-42-9 (R)-(+)-2,2′-BIS(DICYCLOHEXYLPHOSPHINO)-1,1′-BINAPHTHYL molecular structure lightbox
CAS RN: 121457-42-9

(R)-(+)-2,2′-BIS(DICYCLOHEXYLPHOSPHINO)-1,1′-BINAPHTHYL

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260209 1g In stock Shanghai, Chengdu Inquiry
Batchno.20251105 250mg In stock Shanghai Inquiry
Batchno.20260329 5g In stock Shanghai Inquiry
  • Product code: SSC-023924
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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 121457-42-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

121457-42-9 / dicyclohexyl-[1-(2-dicyclohexylphosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane

Standard CAS: 121457-42-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121457-42-9
Multi CAS
No
Molecular Formula
C44H56P2
Molecular Weight
646.900000
Exact Mass
646.385726
SMILES
C1CCC(CC1)P(C2CCCCC2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7CCCCC7)C8CCCCC8
InChI
InChI=1S/C44H56P2/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h13-18,27-32,35-38H,1-12,19-26H2
InChIKey
VJVGVDCTJLFWMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
20
Fraction Csp3
0.55
Rotatable bonds
7
Molar refractivity
207.49
TPSA
0.0000

LogP / Solubility

WLOGP
13.21
MLOGP
11.67
XLogP3
12.4
Consensus LogP
12.43
Log S (ESOL)
-12.03
Class (ESOL)
Insoluble
Log S (Ali)
-14.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.67
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)
2.71

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
6.5

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