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CAS 121282-70-0 Boc-(+/-)-trans-2-aminocyclohexanol molecular structure lightbox
CAS RN: 121282-70-0

Boc-(+/-)-trans-2-aminocyclohexanol

  • Product code: SSC-023085
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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, 10g
  • 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 121282-70-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

121282-70-0 / tert-butyl N-[(1R,2R)-2-hydroxycyclohexyl]carbamate

(1R,2R)-trans-N-Boc-2-aminocyclohexanol | RefChem:393220 | 622-841-8

Standard CAS: 121282-70-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121282-70-0
Multi CAS
Yes
Molecular Formula
C11H21NO3
Molecular Weight
215.290000
Exact Mass
215.152144
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1O
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9-/m1/s1
InChIKey
XVROWZPERFUOCE-RKDXNWHRSA-N
Synonyms
(1R,2R)-trans-N-Boc-2-aminocyclohexanol RefChem:393220 622-841-8 tert-Butyl (trans-2-hydroxycyclohexyl)carbamate tert-butyl ((1R,2R)-2-hydroxycyclohexyl)carbamate

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
57.63
TPSA
58.56

LogP / Solubility

WLOGP
1.81
MLOGP
1.6
XLogP3
1.6
Consensus LogP
1.67
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.74

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P317, P330, P391, and P501

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