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CAS 2565-58-4 CHLOROMETHYLPHOSPHONIC ACID molecular structure lightbox
CAS RN: 2565-58-4

CHLOROMETHYLPHOSPHONIC ACID

  • Product code: SSC-121860
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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 2565-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

2565-58-4 / chloromethylphosphonic acid

Standard CAS: 2565-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2565-58-4
Multi CAS
No
Molecular Formula
CH4ClO3P
Molecular Weight
130.470000
Exact Mass
129.958659
SMILES
C(P(=O)(O)O)Cl
InChI
InChI=1S/CH4ClO3P/c2-1-6(3,4)5/h1H2,(H2,3,4,5)
InChIKey
MOFCYHDQWIZKMY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
22.76
TPSA
57.53

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
-0.9
Consensus LogP
-0.08
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.89
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26

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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