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CAS 1223573-40-7 1-Azaspiro[3.3]heptane, 1-(phenylMethyl)- molecular structure lightbox
CAS RN: 1223573-40-7

1-Azaspiro[3.3]heptane, 1-(phenylMethyl)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250716 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1223573-40-7
  • Purity/Analytical Methods: >99.0%
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1223573-40-7 / 1-benzyl-1-azaspiro[3.3]heptane

Standard CAS: 1223573-40-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1223573-40-7
Multi CAS
No
Molecular Formula
C13H17N
Molecular Weight
187.280000
Exact Mass
187.136100
SMILES
C1CC2(C1)CCN2CC3=CC=CC=C3
InChI
InChI=1S/C13H17N/c1-2-5-12(6-3-1)11-14-10-9-13(14)7-4-8-13/h1-3,5-6H,4,7-11H2
InChIKey
MXYJJZAQACKMIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
58.05
TPSA
3.24

LogP / Solubility

WLOGP
2.82
MLOGP
2.48
XLogP3
2.6
Consensus LogP
2.63
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly 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)
-1.86

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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