[email protected]
CAS 28936-91-6 8-Acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione molecular structure lightbox
CAS RN: 28936-91-6

8-Acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260115 1g / 2.5g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS28936-91-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

28936-91-6 / 8-acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

Standard CAS: 28936-91-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28936-91-6
Multi CAS
No
Molecular Formula
C9H13N3O3
Molecular Weight
211.220000
Exact Mass
211.095691
InChI
InChI=1S/C9H13N3O3/c1-6(13)12-4-2-9(3-5-12)7(14)10-8(15)11-9/h2-5H2,1H3,(H2,10,11,14,15)
InChIKey
JWWJTVOLGNBKIP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.67
H-bond acceptors
3
H-bond donors
2
Molar refractivity
50.89
TPSA
78.51

LogP / Solubility

WLOGP
-0.79
MLOGP
-0.7
XLogP3
-1.2
Consensus LogP
-0.9
Log S (ESOL)
-0.65
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.57

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

Customers Also Viewed

Get In Touch

Contact Us