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CAS 790725-81-4 (8-ETHYL-2,4-DIOXO-1,3-DIAZASPIRO[4.5]DEC-3-YL)ACETIC ACID molecular structure lightbox
CAS RN: 790725-81-4

(8-ETHYL-2,4-DIOXO-1,3-DIAZASPIRO[4.5]DEC-3-YL)ACETIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250204 100mg / 250mg / 1g Out of stock 30 business days Inquiry
  • Product code: starshine_CAS790725-81-4
  • Purity/Analytical Methods: >99.0%
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790725-81-4 / 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetic acid

Standard CAS: 790725-81-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
790725-81-4
Multi CAS
No
Molecular Formula
C12H18N2O4
Molecular Weight
254.280000
Exact Mass
254.126657
InChI
InChI=1S/C12H18N2O4/c1-2-8-3-5-12(6-4-8)10(17)14(7-9(15)16)11(18)13-12/h8H,2-7H2,1H3,(H,13,18)(H,15,16)
InChIKey
HIGUZLALYBCEKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
62.86
TPSA
86.71

LogP / Solubility

WLOGP
0.96
MLOGP
0.85
XLogP3
1.1
Consensus LogP
0.97
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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