CAS RN: 793678-99-6
4-(2,5-DIOXO-IMIDAZOLIDIN-1-YL)-BUTYRIC ACID
- Product code: SSC-188551
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: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
793678-99-6 / 4-(2,5-dioxoimidazolidin-1-yl)butanoic acid
Basic Information
CAS
793678-99-6
Multi CAS
No
Molecular Formula
C7H10N2O4
Molecular Weight
186.170000
Exact Mass
186.064057
InChI
InChI=1S/C7H10N2O4/c10-5-4-8-7(13)9(5)3-1-2-6(11)12/h1-4H2,(H,8,13)(H,11,12)
InChIKey
GYEHTLIBCNQARC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.98
TPSA
86.71
LogP / Solubility
WLOGP
-0.6
MLOGP
-0.53
XLogP3
-1
Consensus LogP
-0.71
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.28
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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