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CAS 221187-50-4 2′-(DICYCLOHEXYLPHOSPHINO)ACETOPHENONE & molecular structure lightbox
CAS RN: 221187-50-4

2′-(DICYCLOHEXYLPHOSPHINO)ACETOPHENONE &

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260202 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250705 100mg In stock Shanghai Inquiry
Batchno.20250506 1g In stock Shanghai Inquiry
Batchno.20260402 250mg In stock Shanghai Inquiry
Batchno.20251214 5g In stock Shanghai Inquiry
  • Product code: SSC-106403
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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, 0.25g, 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 221187-50-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

221187-50-4 / dicyclohexyl-[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane

Standard CAS: 221187-50-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221187-50-4
Multi CAS
No
Molecular Formula
C22H33O2P
Molecular Weight
360.500000
Exact Mass
360.221817
SMILES
CC1(OCCO1)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C22H33O2P/c1-22(23-16-17-24-22)20-14-8-9-15-21(20)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h8-9,14-15,18-19H,2-7,10-13,16-17H2,1H3
InChIKey
ZQASITYRQOCACA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
106
TPSA
18.46

LogP / Solubility

WLOGP
5.68
MLOGP
5.02
XLogP3
4.7
Consensus LogP
5.13
Log S (ESOL)
-5.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.89

Drug-likeness / Medicinal Chemistry

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

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