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CAS 189756-42-1 tris(3,5-di-tert-butylphenyl)phosphine molecular structure lightbox
CAS RN: 189756-42-1

tris(3,5-di-tert-butylphenyl)phosphine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-088871
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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 189756-42-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

189756-42-1 / tris(3,5-ditert-butylphenyl)phosphane

Standard CAS: 189756-42-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
189756-42-1
Multi CAS
No
Molecular Formula
C42H63P
Molecular Weight
598.900000
Exact Mass
598.466739
SMILES
CC(C)(C)C1=CC(=CC(=C1)P(C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C42H63P/c1-37(2,3)28-19-29(38(4,5)6)23-34(22-28)43(35-24-30(39(7,8)9)20-31(25-35)40(10,11)12)36-26-32(41(13,14)15)21-33(27-36)42(16,17)18/h19-27H,1-18H3
InChIKey
KSWPSYBRTKSCKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
18
Fraction Csp3
0.57
Rotatable bonds
3
Molar refractivity
197.35
TPSA
0.0000

LogP / Solubility

WLOGP
11.23
MLOGP
9.93
XLogP3
14.6
Consensus LogP
11.92
Log S (ESOL)
-10.74
Class (ESOL)
Insoluble
Log S (Ali)
-12.58
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)
1.6

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
4

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