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CAS 1389264-18-9 2-Oxa-5-azaspiro[3.4]octane oxalate molecular structure lightbox
CAS RN: 1389264-18-9

2-Oxa-5-azaspiro[3.4]octane oxalate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 250mg / 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1389264-18-9
  • Purity/Analytical Methods: >99.0%
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1389264-18-9 / 2-oxa-5-azaspiro[3.4]octane;oxalic acid

Standard CAS: 1389264-18-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1389264-18-9
Multi CAS
No
Molecular Formula
C8H13NO5
Molecular Weight
203.190000
Exact Mass
203.079373
SMILES
C1CC2(COC2)NC1.C(=O)(C(=O)O)O
InChI
InChI=1S/C6H11NO.C2H2O4/c1-2-6(7-3-1)4-8-5-6;3-1(4)2(5)6/h7H,1-5H2;(H,3,4)(H,5,6)
InChIKey
JFOZNINEJYPQQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
3
Molar refractivity
46.06
TPSA
95.86

LogP / Solubility

WLOGP
-0.71
MLOGP
-0.62
XLogP3
-0.71
Consensus LogP
-0.68
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.4
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.46

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501 P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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