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CAS 956355-40-1 (4-CYCLOPROPYL-4-METHYL-2,5-DIOXO-IMIDAZOLIDIN-1-YL)-ACETIC ACID molecular structure lightbox
CAS RN: 956355-40-1

(4-CYCLOPROPYL-4-METHYL-2,5-DIOXO-IMIDAZOLIDIN-1-YL)-ACETIC ACID

  • Product code: SSC-211151
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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: 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 956355-40-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

956355-40-1 / 2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid

Standard CAS: 956355-40-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
956355-40-1
Multi CAS
No
Molecular Formula
C9H12N2O4
Molecular Weight
212.200000
Exact Mass
212.079707
InChI
InChI=1S/C9H12N2O4/c1-9(5-2-3-5)7(14)11(4-6(12)13)8(15)10-9/h5H,2-4H2,1H3,(H,10,15)(H,12,13)
InChIKey
TVQQMCMNFNVIIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.01
TPSA
86.71

LogP / Solubility

WLOGP
-0.21
MLOGP
-0.18
XLogP3
-0.3
Consensus LogP
-0.23
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-4.16

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
2

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