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CAS 255836-67-0 RAC-2-(DI-T-BUTYLPHOSPHINO)-1,1′-BINAPHTHYL molecular structure lightbox
CAS RN: 255836-67-0

RAC-2-(DI-T-BUTYLPHOSPHINO)-1,1′-BINAPHTHYL

  • Product code: SSC-121691
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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, 0.1g, 1g, 5g, 10g, 25g
  • Available purity: >98%
  • 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 255836-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >98% 5 In Stock Shanghai Inquiry
0.1g >98% 3 In Stock Beijing Inquiry
1g >98% 3 In Stock Beijing Inquiry
5g >98% 1 In Stock Hong Kong Inquiry
10g >98% 0 Out of Stock Shenzhen Inquiry
25g >98% 0 Out of Stock Beijing Inquiry

255836-67-0 / ditert-butyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

Standard CAS: 255836-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
255836-67-0
Multi CAS
No
Molecular Formula
C28H31P
Molecular Weight
398.500000
Exact Mass
398.216338
SMILES
CC(C)(C)P(C1=C(C2=CC=CC=C2C=C1)C3=CC=CC4=CC=CC=C43)C(C)(C)C
InChI
InChI=1S/C28H31P/c1-27(2,3)29(28(4,5)6)25-19-18-21-13-8-10-16-23(21)26(25)24-17-11-14-20-12-7-9-15-22(20)24/h7-19H,1-6H3
InChIKey
QGBQGMHXBSLYLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
20
Fraction Csp3
0.29
Rotatable bonds
2
Molar refractivity
132.95
TPSA
0.0000

LogP / Solubility

WLOGP
8.36
MLOGP
7.38
XLogP3
7.6
Consensus LogP
7.78
Log S (ESOL)
-7.96
Class (ESOL)
Insoluble
Log S (Ali)
-8.87
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.43
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)
0.79

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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