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CAS 919-19-7 ACETYLPHOSPHONIC ACID DIETHYL ESTER molecular structure lightbox
CAS RN: 919-19-7

ACETYLPHOSPHONIC ACID DIETHYL ESTER

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250820 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS919-19-7
  • Purity/Analytical Methods: >99.0%
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919-19-7 / 1-diethoxyphosphorylethanone

Standard CAS: 919-19-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
919-19-7
Multi CAS
No
Molecular Formula
C6H13O4P
Molecular Weight
180.140000
Exact Mass
180.055146
InChI
InChI=1S/C6H13O4P/c1-4-9-11(8,6(3)7)10-5-2/h4-5H2,1-3H3
InChIKey
YOHJPFQGGNEGSE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
41.54
TPSA
52.6

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
Consensus LogP
1.13
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately 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)
-2.54

Drug-likeness / Medicinal Chemistry

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

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