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CAS 714-71-6 (4,4-DIETHYL-2,5-DIOXOIMIDAZOLIDIN-1-YL)ACETIC ACID molecular structure lightbox
CAS RN: 714-71-6

(4,4-DIETHYL-2,5-DIOXOIMIDAZOLIDIN-1-YL)ACETIC ACID

  • Product code: SSC-180993
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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: 0.1g
  • 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 714-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

714-71-6 / 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetic acid

Standard CAS: 714-71-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
714-71-6
Multi CAS
No
Molecular Formula
C9H14N2O4
Molecular Weight
214.220000
Exact Mass
214.095357
InChI
InChI=1S/C9H14N2O4/c1-3-9(4-2)7(14)11(5-6(12)13)8(15)10-9/h3-5H2,1-2H3,(H,10,15)(H,12,13)
InChIKey
BKCYHQOVVIWYSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.19
TPSA
86.71

LogP / Solubility

WLOGP
0.18
MLOGP
0.16
XLogP3
0.4
Consensus LogP
0.25
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
Soluble

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)
-3.9

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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