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CAS 1523530-74-6 (1R,4R)-2-Oxa-5-azabicyclo[2.2.1]heptane heMioxalate molecular structure lightbox
CAS RN: 1523530-74-6

(1R,4R)-2-Oxa-5-azabicyclo[2.2.1]heptane heMioxalate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250928 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1523530-74-6
  • Purity/Analytical Methods: >99.0%
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1523530-74-6 / bis((1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptane);oxalic acid

Standard CAS: 1523530-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1523530-74-6
Multi CAS
No
Molecular Formula
C12H20N2O6
Molecular Weight
288.300000
Exact Mass
288.132136
SMILES
C1[C@@H]2CN[C@H]1CO2.C1[C@@H]2CN[C@H]1CO2.C(=O)(C(=O)O)O
InChI
InChI=1S/2C5H9NO.C2H2O4/c2*1-4-3-7-5(1)2-6-4;3-1(4)2(5)6/h2*4-6H,1-3H2;(H,3,4)(H,5,6)/t2*4-,5-;/m11./s1
InChIKey
YNSNAVAMSHBSLQ-KKXFCUFMSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
4
Molar refractivity
67.57
TPSA
117.12

LogP / Solubility

WLOGP
-1.35
MLOGP
-1.18
XLogP3
-1.35
Consensus LogP
-1.29
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
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)
-5.44

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
8

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