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CAS 1848244-75-6 [2′,4′-Bis(1,1-dimethylethyl)-6′-methoxy[1,1′-biphenyl]-2-yl]dicyclohexylphosphine molecular structure lightbox
CAS RN: 1848244-75-6

[2′,4′-Bis(1,1-dimethylethyl)-6′-methoxy[1,1′-biphenyl]-2-yl]dicyclohexylphosphine

  • Product code: SSC-085427
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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: 0.25g, 1g, 5g
  • Available purity: >98%
  • Inventory rows with stock: 3
  • 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 1848244-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 1 In Stock Beijing Inquiry
0.25g >98% 1 In Stock Shanghai Inquiry
1g >98% 1 In Stock Shenzhen Inquiry
1g -- 0 Out of Stock Hong Kong Inquiry
5g -- 0 Out of Stock Hong Kong Inquiry
5g >98% 0 Out of Stock Shanghai Inquiry

1848244-75-6 / dicyclohexyl-[2-(2,4-ditert-butyl-6-methoxyphenyl)phenyl]phosphane

Standard CAS: 1848244-75-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1848244-75-6
Multi CAS
No
Molecular Formula
C33H49OP
Molecular Weight
492.700000
Exact Mass
492.352103
SMILES
CC(C)(C)C1=CC(=C(C(=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)(C)C
InChI
InChI=1S/C33H49OP/c1-32(2,3)24-22-28(33(4,5)6)31(29(23-24)34-7)27-20-14-15-21-30(27)35(25-16-10-8-11-17-25)26-18-12-9-13-19-26/h14-15,20-23,25-26H,8-13,16-19H2,1-7H3
InChIKey
LYVFKWGKMKCNPE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.64
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
156.13
TPSA
9.23

LogP / Solubility

WLOGP
9.73
MLOGP
8.6
XLogP3
10.1
Consensus LogP
9.48
Log S (ESOL)
-8.95
Class (ESOL)
Insoluble
Log S (Ali)
-10.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.54
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
1.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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