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CAS 2301856-53-9 (2R,2’R,3R,3’R)-3,3′-di-tert-butyl-4,4′-diphenyl-2,2′,3,3′-tetrahydro-2,2′-bibenzo[d][1,3]oxaphosphole molecular structure lightbox
CAS RN: 2301856-53-9

(2R,2’R,3R,3’R)-3,3′-di-tert-butyl-4,4′-diphenyl-2,2′,3,3′-tetrahydro-2,2′-bibenzo[d][1,3]oxaphosphole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260510 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-111790
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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: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2301856-53-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

2301856-53-9 / 3-tert-butyl-2-(3-tert-butyl-4-phenyl-2H-1,3-benzoxaphosphol-2-yl)-4-phenyl-2H-1,3-benzoxaphosphole

Standard CAS: 2301856-53-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2301856-53-9
Multi CAS
No
Molecular Formula
C34H36O2P2
Molecular Weight
538.600000
Exact Mass
538.219054
SMILES
CC(C)(C)P1C(OC2=CC=CC(=C21)C3=CC=CC=C3)C4OC5=CC=CC(=C5P4C(C)(C)C)C6=CC=CC=C6
InChI
InChI=1S/C34H36O2P2/c1-33(2,3)37-29-25(23-15-9-7-10-16-23)19-13-21-27(29)35-31(37)32-36-28-22-14-20-26(24-17-11-8-12-18-24)30(28)38(32)34(4,5)6/h7-22,31-32H,1-6H3
InChIKey
PXMPZIBJGLMMQU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
24
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
165.2
TPSA
18.46

LogP / Solubility

WLOGP
8.97
MLOGP
7.93
XLogP3
7.8
Consensus LogP
8.23
Log S (ESOL)
-9.1
Class (ESOL)
Insoluble
Log S (Ali)
-10.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.97
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)
0.36

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
7.5

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