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CAS 2007921-09-5 8-AZASPIRO[4.5]DECAN-2-YLMETHYL ACETATE molecular structure lightbox
CAS RN: 2007921-09-5

8-AZASPIRO[4.5]DECAN-2-YLMETHYL ACETATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260214 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2007921-09-5
  • Purity/Analytical Methods: >99.0%
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2007921-09-5 / 8-azaspiro[4.5]decan-3-ylmethyl acetate

Standard CAS: 2007921-09-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2007921-09-5
Multi CAS
No
Molecular Formula
C12H21NO2
Molecular Weight
211.300000
Exact Mass
211.157229
SMILES
CC(=O)OCC1CCC2(C1)CCNCC2
InChI
InChI=1S/C12H21NO2/c1-10(14)15-9-11-2-3-12(8-11)4-6-13-7-5-12/h11,13H,2-9H2,1H3
InChIKey
VOKRTMGCPJNIGN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.51
TPSA
38.33

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
1.6
Consensus LogP
1.61
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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