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CAS 221012-82-4 (R)-(+)-2,2′,6,6′-TETRAMETHOXY-4,4′-BIS(DIPHENYLPHOSPHINO)-3,3′-BIPYRIDINE molecular structure lightbox
CAS RN: 221012-82-4

(R)-(+)-2,2′,6,6′-TETRAMETHOXY-4,4′-BIS(DIPHENYLPHOSPHINO)-3,3′-BIPYRIDINE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250827 50mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250120 100mg In stock Shanghai Inquiry
Batchno.20260221 1g In stock Shanghai Inquiry
Batchno.20260328 250mg In stock Shanghai Inquiry
Batchno.20250225 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20260305 5g In stock Shanghai Inquiry
  • Product code: SSC-106327
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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: ＞97%
  • 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 221012-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

221012-82-4 / [3-(4-diphenylphosphanyl-2,6-dimethoxy-3-pyridinyl)-2,6-dimethoxy-4-pyridinyl]-diphenylphosphane

Standard CAS: 221012-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221012-82-4
Multi CAS
No
Molecular Formula
C38H34N2O4P2
Molecular Weight
644.600000
Exact Mass
644.199382
SMILES
COC1=NC(=C(C(=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=C(C=C4P(C5=CC=CC=C5)C6=CC=CC=C6)OC)OC)OC
InChI
InChI=1S/C38H34N2O4P2/c1-41-33-25-31(45(27-17-9-5-10-18-27)28-19-11-6-12-20-28)35(37(39-33)43-3)36-32(26-34(42-2)40-38(36)44-4)46(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h5-26H,1-4H3
InChIKey
JZOSBBLJKXSBBN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
36
Fraction Csp3
0.11
Rotatable bonds
11
H-bond acceptors
6
Molar refractivity
191.09
TPSA
62.7

LogP / Solubility

WLOGP
5.69
MLOGP
5.06
XLogP3
8
Consensus LogP
6.25
Log S (ESOL)
-7.28
Class (ESOL)
Insoluble
Log S (Ali)
-8.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.9
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)
-2.61

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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