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CAS 1392803-55-2 trans-3-(Boc-amino)-2,2-dimethylcyclobutylamine molecular structure lightbox
CAS RN: 1392803-55-2

trans-3-(Boc-amino)-2,2-dimethylcyclobutylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251121 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1392803-55-2
  • Purity/Analytical Methods: >99.0%
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1392803-55-2 / tert-butyl N-[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]carbamate

Standard CAS: 1392803-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1392803-55-2
Multi CAS
No
Molecular Formula
C11H22N2O2
Molecular Weight
214.300000
Exact Mass
214.168128
SMILES
CC1([C@H](C[C@@H]1NC(=O)OC(C)(C)C)N)C
InChI
InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-8-6-7(12)11(8,4)5/h7-8H,6,12H2,1-5H3,(H,13,14)/t7-,8-/m0/s1
InChIKey
LMCOQMMIAHCCFN-YUMQZZPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.53
TPSA
64.35

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.4
Consensus LogP
1.49
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.87

Drug-likeness / Medicinal Chemistry

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

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