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CAS 16165-68-7 DIETHYL 1-DECYLPHOSPHONATE molecular structure lightbox
CAS RN: 16165-68-7

DIETHYL 1-DECYLPHOSPHONATE

  • Product code: SSC-069270
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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: ≥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 16165-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

16165-68-7 / 1-diethoxyphosphoryldecane

Standard CAS: 16165-68-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16165-68-7
Multi CAS
No
Molecular Formula
C14H31O3P
Molecular Weight
278.370000
Exact Mass
278.201082
SMILES
CCCCCCCCCCP(=O)(OCC)OCC
InChI
InChI=1S/C14H31O3P/c1-4-7-8-9-10-11-12-13-14-18(15,16-5-2)17-6-3/h4-14H2,1-3H3
InChIKey
HYQXIVAZQBYBAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
13
H-bond acceptors
3
Molar refractivity
78.34
TPSA
35.53

LogP / Solubility

WLOGP
5.39
MLOGP
4.76
XLogP3
4.7
Consensus LogP
4.95
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.51
Class (SILICOS-IT)
Insoluble

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)
-0.59

Drug-likeness / Medicinal Chemistry

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

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