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CAS 1428234-37-0 1′,3′-Dihydrospirocyclopropane-1,2′-pyrazolo[3,2-b][1,3]oxazine-6′-carboxyli molecular structure lightbox
CAS RN: 1428234-37-0

1′,3′-Dihydrospirocyclopropane-1,2′-pyrazolo[3,2-b][1,3]oxazine-6′-carboxyli

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260222 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1428234-37-0
  • Purity/Analytical Methods: >99.0%
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1428234-37-0 / spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-2-carboxylic acid

Standard CAS: 1428234-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1428234-37-0
Multi CAS
No
Molecular Formula
C9H10N2O3
Molecular Weight
194.190000
Exact Mass
194.069142
SMILES
C1CC12CN3C(=CC(=N3)C(=O)O)OC2
InChI
InChI=1S/C9H10N2O3/c12-8(13)6-3-7-11(10-6)4-9(1-2-9)5-14-7/h3H,1-2,4-5H2,(H,12,13)
InChIKey
GVYLIIJZYZSGSP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.35
TPSA
64.35

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
0.7
Consensus LogP
0.7
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.37

Drug-likeness / Medicinal Chemistry

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

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