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CAS 1000171-05-0 2′-Dicyclohexylphosphino-2,4,6-trimethoxybiphenyl molecular structure lightbox
CAS RN: 1000171-05-0

2′-Dicyclohexylphosphino-2,4,6-trimethoxybiphenyl

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250824 1g In stock Inquiry
Batchno.20250814 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251126 100mg In stock Shanghai Inquiry
Batchno.20250318 1g In stock Shanghai Inquiry
Batchno.20260122 250mg In stock Shanghai Inquiry
Batchno.20251230 5g In stock Shanghai Inquiry
  • Product code: SSC-000064
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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: 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 1000171-05-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1000171-05-0 / dicyclohexyl-[2-(2,4,6-trimethoxyphenyl)phenyl]phosphane

2'-Dicyclohexylphosphino-2,4,6-trimethoxybiphenyl | RefChem:439638 | 631-191-4

Standard CAS: 1000171-05-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000171-05-0
Multi CAS
No
Molecular Formula
C27H37O3P
Molecular Weight
440.600000
Exact Mass
440.248032
SMILES
COC1=CC(=C(C(=C1)OC)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)OC
InChI
InChI=1S/C27H37O3P/c1-28-20-18-24(29-2)27(25(19-20)30-3)23-16-10-11-17-26(23)31(21-12-6-4-7-13-21)22-14-8-5-9-15-22/h10-11,16-19,21-22H,4-9,12-15H2,1-3H3
InChIKey
NTHFAYYJLKWDAE-UHFFFAOYSA-N
Synonyms
2'-Dicyclohexylphosphino-2,4,6-trimethoxybiphenyl RefChem:439638 631-191-4 1000171-05-0 dicyclohexyl-[2-(2,4,6-trimethoxyphenyl)phenyl]phosphane

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
131.83
TPSA
27.69

LogP / Solubility

WLOGP
7.15
MLOGP
6.32
XLogP3
6.7
Consensus LogP
6.72
Log S (ESOL)
-6.9
Class (ESOL)
Insoluble
Log S (Ali)
-8.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.3
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)
-0.33

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

Safety & Transport

GHS Hazard Statements
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501

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