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CAS 90197-83-4 3-(4,4-DIMETHYL-2,5-DIOXOIMIDAZOLIDIN-1-YL)PROPANOIC ACID HYDRATE molecular structure lightbox
CAS RN: 90197-83-4

3-(4,4-DIMETHYL-2,5-DIOXOIMIDAZOLIDIN-1-YL)PROPANOIC ACID HYDRATE

  • Product code: SSC-202677
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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 90197-83-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

90197-83-4 / 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid

Standard CAS: 90197-83-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90197-83-4
Multi CAS
Yes
Molecular Formula
C8H12N2O4
Molecular Weight
200.190000
Exact Mass
200.079707
InChI
InChI=1S/C8H12N2O4/c1-8(2)6(13)10(7(14)9-8)4-3-5(11)12/h3-4H2,1-2H3,(H,9,14)(H,11,12)
InChIKey
TWIDPXDENRHUJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.58
TPSA
86.71

LogP / Solubility

WLOGP
-0.21
MLOGP
-0.18
XLogP3
-0.8
Consensus LogP
-0.4
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-4.09

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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