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CAS 7439-69-2 DI-N-BUTYL N,N-DIETHYLCARBAMOYLPHOSPHONATE molecular structure lightbox
CAS RN: 7439-69-2

DI-N-BUTYL N,N-DIETHYLCARBAMOYLPHOSPHONATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251008 1g / 5g / 25g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS7439-69-2
  • Purity/Analytical Methods: >99.0%
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7439-69-2 / 1-dibutoxyphosphoryl-N,N-diethylformamide

Standard CAS: 7439-69-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
7439-69-2
Multi CAS
Yes
Molecular Formula
C13H28NO4P
Molecular Weight
293.340000
Exact Mass
293.175595
InChI
InChI=1S/C13H28NO4P/c1-5-9-11-17-19(16,18-12-10-6-2)13(15)14(7-3)8-4/h5-12H2,1-4H3
InChIKey
VIZPJAFCJKGFQB-UHFFFAOYSA-N

Physical Properties

Physical Description
Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
11
H-bond acceptors
4
Molar refractivity
77.64
TPSA
55.84

LogP / Solubility

WLOGP
4.27
MLOGP
3.77
XLogP3
2.5
Consensus LogP
3.51
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.43
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47

Drug-likeness / Medicinal Chemistry

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

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