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CAS 1179-06-2 1,4-BIS(DIPHENYLPHOSPHINO)BENZENE molecular structure lightbox
CAS RN: 1179-06-2

1,4-BIS(DIPHENYLPHOSPHINO)BENZENE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251012 1g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20250107 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260211 5g In stock Chengdu Inquiry
  • Product code: SSC-017724
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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 1179-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1179-06-2 / (4-diphenylphosphanylphenyl)-diphenylphosphane

1,4-BIS(DIPHENYLPHOSPHINO)BENZENE | DTXSID20394615 | RefChem:220231

Standard CAS: 1179-06-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1179-06-2
Multi CAS
No
Molecular Formula
C30H24P2
Molecular Weight
446.500000
Exact Mass
446.135325
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)P(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H24P2/c1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-24H
InChIKey
LIMAMKTXDWVDFW-UHFFFAOYSA-N
Synonyms
1,4-BIS(DIPHENYLPHOSPHINO)BENZENE DTXSID20394615 RefChem:220231 DTXCID70345475 1,4-Bis(diphenylphosphanyl)benzene

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
30
Rotatable bonds
6
Molar refractivity
143.85
TPSA
0.0000

LogP / Solubility

WLOGP
5.2
MLOGP
4.61
XLogP3
7.3
Consensus LogP
5.7
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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