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CAS 57443-18-2 Benzyl Dimethylphosphonoacetate molecular structure lightbox
CAS RN: 57443-18-2

Benzyl Dimethylphosphonoacetate

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250118 100g In stock Shanghai, Tianjin Inquiry
Batchno.20250521 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251220 25g In stock Shanghai, Tianjin Inquiry
Batchno.20250802 500g In stock Shanghai Inquiry
Batchno.20260516 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-165596
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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: 25g
  • 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 57443-18-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

57443-18-2 / benzyl 2-dimethoxyphosphorylacetate

Standard CAS: 57443-18-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
57443-18-2
Multi CAS
Yes
Molecular Formula
C11H15O5P
Molecular Weight
258.210000
Exact Mass
258.065711
InChI
InChI=1S/C11H15O5P/c1-14-17(13,15-2)9-11(12)16-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKey
QYLGNJMIOVHLQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
62.73
TPSA
61.83

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
0.9
Consensus LogP
1.69
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly 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)
-2.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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