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CAS 78055-64-8 Diethyl (3-Chlorobenzyl)phosphonate molecular structure lightbox
CAS RN: 78055-64-8

Diethyl (3-Chlorobenzyl)phosphonate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260201 1g In stock Inquiry
Batchno.20251116 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 1g In stock Wuhan, Chengdu Inquiry
Batchno.20250910 25g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251129 5g In stock Chengdu Inquiry
  • Product code: SSC-187578
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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 78055-64-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

78055-64-8 / 1-chloro-3-(diethoxyphosphorylmethyl)benzene

Standard CAS: 78055-64-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
78055-64-8
Multi CAS
Yes
Molecular Formula
C11H16CLO3P
Molecular Weight
262.670000
Exact Mass
262.052559
InChI
InChI=1S/C11H16ClO3P/c1-3-14-16(13,15-4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3
InChIKey
XJVQZLBCYMWOSM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
66.01
TPSA
35.53

LogP / Solubility

WLOGP
4.11
MLOGP
3.62
XLogP3
2.3
Consensus LogP
3.34
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly 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)
-1.41

Drug-likeness / Medicinal Chemistry

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

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