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CAS 2173992-35-1 tert-butyl N-{7-azaspiro[3.5]nonan-1-yl}carbamate hydrochloride molecular structure lightbox
CAS RN: 2173992-35-1

tert-butyl N-{7-azaspiro[3.5]nonan-1-yl}carbamate hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260613 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2173992-35-1
  • Purity/Analytical Methods: >99.0%
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2173992-35-1 / tert-butyl N-(7-azaspiro[3.5]nonan-3-yl)carbamate;hydrochloride

Standard CAS: 2173992-35-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2173992-35-1
Multi CAS
No
Molecular Formula
C13H25ClN2O2
Molecular Weight
276.800000
Exact Mass
276.160456
SMILES
CC(C)(C)OC(=O)NC1CCC12CCNCC2.Cl
InChI
InChI=1S/C13H24N2O2.ClH/c1-12(2,3)17-11(16)15-10-4-5-13(10)6-8-14-9-7-13;/h10,14H,4-9H2,1-3H3,(H,15,16);1H
InChIKey
GODFYQSGXJOUKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.18
TPSA
50.36

LogP / Solubility

WLOGP
2.47
MLOGP
2.18
XLogP3
2.47
Consensus LogP
2.37
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

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

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