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CAS 1588441-03-5 2-Oxa-8-azaspiro[4.5]decane oxalate molecular structure lightbox
CAS RN: 1588441-03-5

2-Oxa-8-azaspiro[4.5]decane oxalate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250312 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1588441-03-5
  • Purity/Analytical Methods: >99.0%
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1588441-03-5 / 2-oxa-8-azaspiro[4.5]decane;oxalic acid

Standard CAS: 1588441-03-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1588441-03-5
Multi CAS
No
Molecular Formula
C10H17NO5
Molecular Weight
231.250000
Exact Mass
231.110673
SMILES
C1CNCCC12CCOC2.C(=O)(C(=O)O)O
InChI
InChI=1S/C8H15NO.C2H2O4/c1-4-9-5-2-8(1)3-6-10-7-8;3-1(4)2(5)6/h9H,1-7H2;(H,3,4)(H,5,6)
InChIKey
XLWWMFHNLPANMB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
55.24
TPSA
95.86

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.06
XLogP3
-0.07
Consensus LogP
-0.07
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.11
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)
-4.18

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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