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CAS 1932063-48-3 (1R,3S)-BENZYL 3-AMINOCYCLOHEXYLCARBAMATE(WX601705) molecular structure lightbox
CAS RN: 1932063-48-3

(1R,3S)-BENZYL 3-AMINOCYCLOHEXYLCARBAMATE(WX601705)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250908 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1932063-48-3
  • Purity/Analytical Methods: >99.0%
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1932063-48-3 / benzyl N-[(1R,3S)-3-aminocyclohexyl]carbamate

Standard CAS: 1932063-48-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1932063-48-3
Multi CAS
No
Molecular Formula
C14H20N2O2
Molecular Weight
248.320000
Exact Mass
248.152478
SMILES
C1C[C@@H](C[C@@H](C1)NC(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C14H20N2O2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,15H2,(H,16,17)/t12-,13+/m0/s1
InChIKey
NFWZARAFTINKJK-QWHCGFSZSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
69.99
TPSA
64.35

LogP / Solubility

WLOGP
2.18
MLOGP
1.93
XLogP3
1.8
Consensus LogP
1.97
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
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)
-2.69

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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