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CAS 4408-78-0 PHOSPHONOACETIC ACID molecular structure lightbox
CAS RN: 4408-78-0

PHOSPHONOACETIC ACID

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260124 10g Out of stock Inquiry
Batchno.20250717 50g Out of stock Inquiry
Batchno.20250612 5g In stock Inquiry
  • Product code: SSC-152128
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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 4408-78-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

4408-78-0 / 2-phosphonoacetic acid

Standard CAS: 4408-78-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4408-78-0
Multi CAS
Yes
Molecular Formula
C2H5O5P
Molecular Weight
140.030000
Exact Mass
139.987460
InChI
InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKey
XUYJLQHKOGNDPB-UHFFFAOYSA-N

Physical Properties

Melting Point
143-146 °C 143 - 146 °C
Physical Description
White crystalline powder; Odorless and hygroscopic; Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
3
Molar refractivity
24.55
TPSA
94.83

LogP / Solubility

WLOGP
-0.75
MLOGP
-0.67
XLogP3
-2
Consensus LogP
-1.14
Log S (ESOL)
-0.1
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very 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)
-4.11

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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