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CAS 10596-23-3 CLODRONIC ACID molecular structure lightbox
CAS RN: 10596-23-3

CLODRONIC ACID

  • Product code: SSC-007592
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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: ≥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 10596-23-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

10596-23-3 / [dichloro(phosphono)methyl]phosphonic acid

Clodronic Acid | Clodronate | (Dichloromethylene)diphosphonic acid

Standard CAS: 10596-23-3 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
10596-23-3
Multi CAS
No
Molecular Formula
CH4Cl2O6P2
Molecular Weight
244.890000
Exact Mass
243.886017
SMILES
C(P(=O)(O)O)(P(=O)(O)O)(Cl)Cl
InChI
InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)
InChIKey
ACSIXWWBWUQEHA-UHFFFAOYSA-N
Synonyms
Clodronic Acid Clodronate (Dichloromethylene)diphosphonic acid Acido clodronico Acide clodronique

Physical Properties

Melting Point
250 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
4
Molar refractivity
38.53
TPSA
115.06

LogP / Solubility

WLOGP
0.43
MLOGP
0.38
XLogP3
-2.1
Consensus LogP
-0.43
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.91

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
1.5

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