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CAS 885269-69-2 Tert-butyl(4-aminotetrahydro-2H-pyran-4-yl)methylcarbamate molecular structure lightbox
CAS RN: 885269-69-2

Tert-butyl(4-aminotetrahydro-2H-pyran-4-yl)methylcarbamate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS885269-69-2
  • Purity/Analytical Methods: >99.0%
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885269-69-2 / tert-butyl N-[(4-aminooxan-4-yl)methyl]carbamate

Standard CAS: 885269-69-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
885269-69-2
Multi CAS
Yes
Molecular Formula
C11H22N2O3
Molecular Weight
230.300000
Exact Mass
230.163043
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-8-11(12)4-6-15-7-5-11/h4-8,12H2,1-3H3,(H,13,14)
InChIKey
OKKXSYCQUVNYBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.21
TPSA
73.58

LogP / Solubility

WLOGP
1.02
MLOGP
0.9
XLogP3
0.2
Consensus LogP
0.71
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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