![CAS 851170-87-1 (8-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/CB7468120.gif)
CAS RN: 851170-87-1
(8-METHYL-2,4-DIOXO-1,3-DIAZA-SPIRO[4.5]DEC-3-YL)-ACETIC ACID
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251122 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS851170-87-1
- Purity/Analytical Methods: >99.0%
851170-87-1 / 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid
Basic Information
CAS
851170-87-1
Multi CAS
No
Molecular Formula
C11H16N2O4
Molecular Weight
240.260000
Exact Mass
240.111007
InChI
InChI=1S/C11H16N2O4/c1-7-2-4-11(5-3-7)9(16)13(6-8(14)15)10(17)12-11/h7H,2-6H2,1H3,(H,12,17)(H,14,15)
InChIKey
JDHLGQPYECBZSL-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
0.6
Consensus LogP
0.56
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
2.5
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