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CAS 111300-06-2 trans-4-(tert-Butoxycarbonylamino)cyclohexanol molecular structure lightbox
CAS RN: 111300-06-2

trans-4-(tert-Butoxycarbonylamino)cyclohexanol

  • Product code: SSC-012113
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 111300-06-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Hong Kong Inquiry
5g >97% 5 In Stock Beijing Inquiry
10g >97% 5 In Stock Hong Kong Inquiry
25g >97% 3 In Stock Shanghai Inquiry
100g >97% 3 In Stock Shenzhen Inquiry
500g >97% 0 Out of Stock Hong Kong Inquiry
1000g >97% 0 Out of Stock Shanghai Inquiry

111300-06-2 / tert-butyl N-(4-hydroxycyclohexyl)carbamate

CIS-4-(TERT-BUTOXYCARBONYLAMINO)CYCLOHEXANOL | RefChem:577344 | 835-524-6

Standard CAS: 111300-06-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
111300-06-2
Multi CAS
Yes
Molecular Formula
C11H21NO3
Molecular Weight
215.290000
Exact Mass
215.152144
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)O
InChI
InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8-9,13H,4-7H2,1-3H3,(H,12,14)
InChIKey
DQARDWKWPIRJEH-UHFFFAOYSA-N
Synonyms
CIS-4-(TERT-BUTOXYCARBONYLAMINO)CYCLOHEXANOL RefChem:577344 835-524-6 tert-butyl (4-hydroxycyclohexyl)carbamate trans-4-Boc-aminocyclohexanol

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
1.5

Safety & Transport

Pictogram(s)
Irritant Environmental Hazard
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P264, P270, P273, P301+P317, P330, P391, and P501

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