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CAS 176220-38-5 4,4′-Bis(diethylmethylphosphonate)-2,2′-bipyridine molecular structure lightbox
CAS RN: 176220-38-5

4,4′-Bis(diethylmethylphosphonate)-2,2′-bipyridine

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250924 100mg In stock Shanghai Inquiry
Batchno.20251129 1g In stock Shanghai Inquiry
Batchno.20251010 250mg In stock Shanghai Inquiry
  • Product code: SSC-077216
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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 176220-38-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

176220-38-5 / 4-(diethoxyphosphorylmethyl)-2-[4-(diethoxyphosphorylmethyl)-2-pyridinyl]pyridine

Standard CAS: 176220-38-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
176220-38-5
Multi CAS
No
Molecular Formula
C20H30N2O6P2
Molecular Weight
456.400000
Exact Mass
456.157911
SMILES
CCOP(=O)(CC1=CC(=NC=C1)C2=NC=CC(=C2)CP(=O)(OCC)OCC)OCC
InChI
InChI=1S/C20H30N2O6P2/c1-5-25-29(23,26-6-2)15-17-9-11-21-19(13-17)20-14-18(10-12-22-20)16-30(24,27-7-3)28-8-4/h9-14H,5-8,15-16H2,1-4H3
InChIKey
OQVYMXCRDHDTTH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
13
H-bond acceptors
8
Molar refractivity
116.59
TPSA
96.84

LogP / Solubility

WLOGP
5.68
MLOGP
5.03
XLogP3
1
Consensus LogP
3.9
Log S (ESOL)
-5.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.9
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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