![CAS 743441-93-2 (6-METHYL-2,4-DIOXO-1,3-DIAZA-SPIRO[4.5]DEC-3-YL)-ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2496559.gif)
CAS RN: 743441-93-2
(6-METHYL-2,4-DIOXO-1,3-DIAZA-SPIRO[4.5]DEC-3-YL)-ACETIC ACID
- Product code: SSC-183791
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 |
743441-93-2 / 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
Basic Information
CAS
743441-93-2
Multi CAS
No
Molecular Formula
C11H16N2O4
Molecular Weight
240.260000
Exact Mass
240.111007
InChI
InChI=1S/C11H16N2O4/c1-7-4-2-3-5-11(7)9(16)13(6-8(14)15)10(17)12-11/h7H,2-6H2,1H3,(H,12,17)(H,14,15)
InChIKey
DCTDRJMSDHXGIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.73
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.24
TPSA
86.71
LogP / Solubility
WLOGP
0.57
MLOGP
0.51
XLogP3
0.8
Consensus LogP
0.63
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.94
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)
-3.78
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
3.5
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