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CAS 22560-50-5 Clodronate disodium molecular structure lightbox
CAS RN: 22560-50-5

Clodronate disodium

  • Product code: SSC-110331
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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: 10g
  • 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 22560-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 0 Out of Stock Shanghai Inquiry

22560-50-5 / disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate

Standard CAS: 22560-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22560-50-5
Multi CAS
No
Molecular Formula
CH2Cl2Na2O6P2
Molecular Weight
288.850000
Exact Mass
287.849906
SMILES
C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.[Na+].[Na+]
InChI
InChI=1S/CH4Cl2O6P2.2Na/c2-1(3,10(4,5)6)11(7,8)9;;/h(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-2
InChIKey
HJKBJIYDJLVSAO-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
34.09
TPSA
120.72

LogP / Solubility

WLOGP
-6.83
MLOGP
-6
XLogP3
-6.83
Consensus LogP
-6.55
Log S (ESOL)
2.8
Class (ESOL)
Highly soluble
Log S (Ali)
3
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.89
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-9.33

Drug-likeness / Medicinal Chemistry

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

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