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CAS 946002-43-3 Trans-N-BOC-1,4-CYCLOHEXANEDIAMINE-HCl molecular structure lightbox
CAS RN: 946002-43-3

Trans-N-BOC-1,4-CYCLOHEXANEDIAMINE-HCl

  • Product code: SSC-209717
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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: 1g
  • Available purity: ≥95%
  • 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 946002-43-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

946002-43-3 / tert-butyl N-(4-aminocyclohexyl)carbamate;hydrochloride

Standard CAS: 946002-43-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
946002-43-3
Multi CAS
Yes
Molecular Formula
C11H23CLN2O2
Molecular Weight
250.760000
Exact Mass
250.144806
InChI
InChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9;/h8-9H,4-7,12H2,1-3H3,(H,13,14);1H
InChIKey
OYMZHXKUCQETTB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.85
TPSA
64.35

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.2
Consensus LogP
2.11
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-2.69

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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