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CAS 129318-43-0 Alendronate sodium molecular structure lightbox
CAS RN: 129318-43-0

Alendronate sodium

  • Product code: SSC-036392
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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: 5g
  • 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 129318-43-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Shanghai Inquiry

129318-43-0 / sodium (4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate

Standard CAS: 129318-43-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
129318-43-0
Multi CAS
No
Molecular Formula
C4H12NNaO7P2
Molecular Weight
271.080000
Exact Mass
270.998670
SMILES
C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.[Na+]
InChI
InChI=1S/C4H13NO7P2.Na/c5-3-1-2-4(6,13(7,8)9)14(10,11)12;/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12);/q;+1/p-1
InChIKey
CAKRAHQRJGUPIG-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
5
Molar refractivity
45.11
TPSA
164.14

LogP / Solubility

WLOGP
-4.9
MLOGP
-4.3
XLogP3
-4.9
Consensus LogP
-4.7
Log S (ESOL)
1.9
Class (ESOL)
Highly soluble
Log S (Ali)
1.76
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.05
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)
-7.85

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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