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CAS 2489243-29-8 Phosphine, dicyclohexyl[3-(1,1-dimethylethoxy)-6-methoxy-2′,6′-bis(1-methylethyl)[1,1′-biphenyl]-2-yl]- molecular structure lightbox
CAS RN: 2489243-29-8

Phosphine, dicyclohexyl[3-(1,1-dimethylethoxy)-6-methoxy-2′,6′-bis(1-methylethyl)[1,1′-biphenyl]-2-yl]-

  • Product code: SSC-120084
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2489243-29-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 2 In Stock Shenzhen Inquiry
5g >97% 1 In Stock Shanghai Inquiry

2489243-29-8 / dicyclohexyl-[2-[2,6-di(propan-2-yl)phenyl]-3-methoxy-6-[(2-methylpropan-2-yl)oxy]phenyl]phosphane

Standard CAS: 2489243-29-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2489243-29-8
Multi CAS
No
Molecular Formula
C35H53O2P
Molecular Weight
536.800000
Exact Mass
536.378318
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC(C)(C)C)OC
InChI
InChI=1S/C35H53O2P/c1-24(2)28-20-15-21-29(25(3)4)32(28)33-30(36-8)22-23-31(37-35(5,6)7)34(33)38(26-16-11-9-12-17-26)27-18-13-10-14-19-27/h15,20-27H,9-14,16-19H2,1-8H3
InChIKey
JKLUIDIKASJZCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
12
Fraction Csp3
0.66
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
167.29
TPSA
18.46

LogP / Solubility

WLOGP
10.56
MLOGP
9.33
XLogP3
9.9
Consensus LogP
9.93
Log S (ESOL)
-9.53
Class (ESOL)
Insoluble
Log S (Ali)
-11.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.87
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)
1.5

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
4.5

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