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CAS 1217664-37-3 Trans-1-CBZ-AMINO-4-AMINOCYCLOHEXANE-HCl molecular structure lightbox
CAS RN: 1217664-37-3

Trans-1-CBZ-AMINO-4-AMINOCYCLOHEXANE-HCl

  • Product code: SSC-024469
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1217664-37-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1217664-37-3 / benzyl N-(4-aminocyclohexyl)carbamate;hydrochloride

Standard CAS: 1217664-37-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217664-37-3
Multi CAS
No
Molecular Formula
C14H21ClN2O2
Molecular Weight
284.780000
Exact Mass
284.129156
SMILES
C1CC(CCC1N)NC(=O)OCC2=CC=CC=C2.Cl
InChI
InChI=1S/C14H20N2O2.ClH/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11;/h1-5,12-13H,6-10,15H2,(H,16,17);1H
InChIKey
BGSJXIDHZPOBBW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.24
TPSA
64.35

LogP / Solubility

WLOGP
2.6
MLOGP
2.3
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-2.61

Drug-likeness / Medicinal Chemistry

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

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