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CAS 84243-24-3 1-Oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid, 3-oxo-, phenylmethyl ester molecular structure lightbox
CAS RN: 84243-24-3

1-Oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid, 3-oxo-, phenylmethyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260512 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS84243-24-3
  • Purity/Analytical Methods: >99.0%
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84243-24-3 / benzyl 3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

Standard CAS: 84243-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
84243-24-3
Multi CAS
No
Molecular Formula
C16H20N2O4
Molecular Weight
304.340000
Exact Mass
304.142307
InChI
InChI=1S/C16H20N2O4/c19-14-11-22-16(12-17-14)6-8-18(9-7-16)15(20)21-10-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,17,19)
InChIKey
YGJHKLNLYIXWMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
79.13
TPSA
67.87

LogP / Solubility

WLOGP
1.3
MLOGP
1.16
XLogP3
1
Consensus LogP
1.15
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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