CAS 111982-81-1 [[1,1′-Biphenyl]-2,2′-diylbis(methylene)]bis[diphenylphosphine] molecular structure

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CAS RN: 111982-81-1

[[1,1′-Biphenyl]-2,2′-diylbis(methylene)]bis[diphenylphosphine]

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3 package records0 with current stock1 grade group

Grade In stock only

Batch No.	Package	Availability	Inquiry
Batchno.20251013	100mg	Out of stock	Inquiry
Batchno.20250526	1g	Out of stock	Inquiry
Batchno.20260417	250mg	Out of stock	Inquiry

Product code: SSC-012444

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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

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Recorded sizes, purity and stock details for CAS 111982-81-1
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
1g	≥95%	0 Out of Stock	Shenzhen	Inquiry

111982-81-1 / [2-[2-(diphenylphosphanylmethyl)phenyl]phenyl]methyl-diphenylphosphane

Phosphine, [[1,1'-biphenyl]-2,2'-diylbis(methylene)]bis[diphenyl- | DTXSID70888852 | Phosphine, ((1,1'-biphenyl)-2,2'-diylbis(methylene))bis(diphenyl-

Standard CAS: 111982-81-1 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

111982-81-1

Multi CAS

Molecular Formula

C38H32P2

Molecular Weight

550.600000

Exact Mass

550.197925

SMILES

C1=CC=C(C=C1)P(CC2=CC=CC=C2C3=CC=CC=C3CP(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H32P2/c1-5-19-33(20-6-1)39(34-21-7-2-8-22-34)29-31-17-13-15-27-37(31)38-28-16-14-18-32(38)30-40(35-23-9-3-10-24-35)36-25-11-4-12-26-36/h1-28H,29-30H2

InChIKey

SZKMTZNASRXXCE-UHFFFAOYSA-N

Synonyms

Phosphine, [[1,1'-biphenyl]-2,2'-diylbis(methylene)]bis[diphenyl- DTXSID70888852 Phosphine, ((1,1'-biphenyl)-2,2'-diylbis(methylene))bis(diphenyl- Phosphine, 1,1'-((1,1'-biphenyl)-2,2'-diylbis(methylene))bis(1,1-diphenyl- Phosphine, 1,1'-[[1,1'-biphenyl]-2,2'-diylbis(methylene)]bis[1,1-diphenyl-

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.05

Rotatable bonds

Molar refractivity

177.43

TPSA

0.0000

LogP / Solubility

WLOGP

8.62

MLOGP

7.63

XLogP3

8.8

Consensus LogP

8.35

Log S (ESOL)

-8.76

Class (ESOL)

Insoluble

Log S (Ali)

-10.3

Class (Ali)

Insoluble

Log S (SILICOS-IT)

-11.47

Class (SILICOS-IT)

Insoluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

0.04

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.17

Brenk alerts

Leadlikeness

Synthetic Accessibility

5.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501