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CAS 116384-56-6 Diethyl [(2-chloroethoxy)methyl]phosphonate molecular structure lightbox
CAS RN: 116384-56-6

Diethyl [(2-chloroethoxy)methyl]phosphonate

  • Product code: SSC-016446
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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, 5g, 10g, 25g
  • 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 116384-56-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

116384-56-6 / 1-chloro-2-(diethoxyphosphorylmethoxy)ethane

Diethyl [(2-chloroethoxy)methyl]phosphonate | Diethyl ((2-chloroethoxy)methyl)phosphonate | DTXSID50434194

Standard CAS: 116384-56-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
116384-56-6
Multi CAS
Yes
Molecular Formula
C7H16ClO4P
Molecular Weight
230.620000
Exact Mass
230.047474
SMILES
CCOP(=O)(COCCCl)OCC
InChI
InChI=1S/C7H16ClO4P/c1-3-11-13(9,12-4-2)7-10-6-5-8/h3-7H2,1-2H3
InChIKey
SRYMPIRBPPQDPD-UHFFFAOYSA-N
Synonyms
Diethyl [(2-chloroethoxy)methyl]phosphonate Diethyl ((2-chloroethoxy)methyl)phosphonate DTXSID50434194 RefChem:337569 DTXCID00385021

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
52.4
TPSA
44.76

LogP / Solubility

WLOGP
2.47
MLOGP
2.17
XLogP3
0.7
Consensus LogP
1.78
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly 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)
-2.38

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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