CAS 911415-22-0 Phosphine, [(1S,3S)-1,3-dimethyl-1,3-propanediyl]bis[bis[4-(1,1-dimethylethyl)phenyl]- (9CI) molecular structure

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CAS RN: 911415-22-0

Phosphine, [(1S,3S)-1,3-dimethyl-1,3-propanediyl]bis[bis[4-(1,1-dimethylethyl)phenyl]- (9CI)

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5 package records3 with current stock2 grade groups

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Batch No.	Package	Availability	Warehouse	Lead Time	Inquiry
Batchno.20250719	100mg / 1g	Out of stock		5-7 business days	Inquiry

Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20260602	100mg	In stock	Shanghai	Inquiry
Batchno.20251107	1g	In stock	Tianjin, Wuhan, Chengdu	Inquiry
Batchno.20250727	250mg	In stock	Shanghai, Shenzhen, Tianjin, Wuhan	Inquiry
Batchno.20251120	5g	Out of stock		Inquiry

Product code: starshine_CAS911415-22-0
Purity/Analytical Methods: >99.0%

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911415-22-0 / [(2S,4S)-4-bis(4-tert-butylphenyl)phosphanylpentan-2-yl]-bis(4-tert-butylphenyl)phosphane

Standard CAS: 911415-22-0 Multi CAS: Yes

Basic Information Computed Properties

Basic Information

CAS

911415-22-0

Multi CAS

Yes

Molecular Formula

C45H62P2

Molecular Weight

664.900000

Exact Mass

664.432676

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-/m0/s1

InChIKey

NOLMSXJJRKOIOF-LQJZCPKCSA-N

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.47

Rotatable bonds

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

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

Yes

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

1.47

Drug-likeness / Medicinal Chemistry

Lipinski

Ghose

Veber

Yes

Egan

Muegge

Bioavailability score

0.17

Brenk alerts

Leadlikeness

Synthetic Accessibility

5.5

Phosphine, [(1S,3S)-1,3-dimethyl-1,3-propanediyl]bis[bis[4-(1,1-dimethylethyl)phenyl]- (9CI)

Product Availability

911415-22-0 / [(2S,4S)-4-bis(4-tert-butylphenyl)phosphanylpentan-2-yl]-bis(4-tert-butylphenyl)phosphane

Basic Information

Computed Properties

Structural Parameters

LogP / Solubility

ADME

Drug-likeness / Medicinal Chemistry

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