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CAS 55881-52-2 DIETHYLPHOSPHONOPENTANOIC ACID molecular structure lightbox
CAS RN: 55881-52-2

DIETHYLPHOSPHONOPENTANOIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS55881-52-2
  • Purity/Analytical Methods: >99.0%
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55881-52-2 / 5-diethoxyphosphorylpentanoic acid

Standard CAS: 55881-52-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55881-52-2
Multi CAS
Yes
Molecular Formula
C9H19O5P
Molecular Weight
238.220000
Exact Mass
238.097011
InChI
InChI=1S/C9H19O5P/c1-3-13-15(12,14-4-2)8-6-5-7-9(10)11/h3-8H2,1-2H3,(H,10,11)
InChIKey
YGEORQNREMLBKS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.89
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.21
TPSA
72.83

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
0.4
Consensus LogP
1.71
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.37
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)
-2.39

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

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