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CAS 7369-66-6 Dihexyl N,N-Diethylcarbamylmethylenephosphonate [for Extraction of Lanthanides and Actinides] molecular structure lightbox
CAS RN: 7369-66-6

Dihexyl N,N-Diethylcarbamylmethylenephosphonate [for Extraction of Lanthanides and Actinides]

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251206 1g In stock Shanghai Inquiry
  • Product code: ICTD1663
  • Purity/Analytical Methods: >90.0%(GC)
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7369-66-6 / 2-dihexoxyphosphoryl-N,N-diethylacetamide

Standard CAS: 7369-66-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7369-66-6
Multi CAS
Yes
Molecular Formula
C18H38NO4P
Molecular Weight
363.500000
Exact Mass
363.253846
InChI
InChI=1S/C18H38NO4P/c1-5-9-11-13-15-22-24(21,23-16-14-12-10-6-2)17-18(20)19(7-3)8-4/h5-17H2,1-4H3
InChIKey
MSULAAVSYZOTHM-UHFFFAOYSA-N

Physical Properties

Physical Description
Clear light yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.94
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
100.59
TPSA
55.84

LogP / Solubility

WLOGP
5.24
MLOGP
4.63
XLogP3
4.4
Consensus LogP
4.76
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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