![CAS 732926-20-4 (8-Benzyl-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-3-yl)-acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/732926-20-4.gif)
CAS RN: 732926-20-4
(8-Benzyl-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-3-yl)-acetic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260505 | 1g / 2.5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS732926-20-4
- Purity/Analytical Methods: >99.0%
732926-20-4 / 2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
Basic Information
CAS
732926-20-4
Multi CAS
No
Molecular Formula
C16H19N3O4
Molecular Weight
317.340000
Exact Mass
317.137556
InChI
InChI=1S/C16H19N3O4/c20-13(21)11-19-14(22)16(17-15(19)23)6-8-18(9-7-16)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,17,23)(H,20,21)
InChIKey
SQVWAFNWFNAQLX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
81.56
TPSA
89.95
LogP / Solubility
WLOGP
0.66
MLOGP
0.59
XLogP3
-1.7
Consensus LogP
-0.15
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-4.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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