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CAS 1095010-47-1 Methyl 1-Boc-5-Hydroxypiperidine-3-carboxylate molecular structure lightbox
CAS RN: 1095010-47-1

Methyl 1-Boc-5-Hydroxypiperidine-3-carboxylate

  • Product code: SSC-010895
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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: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • 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 1095010-47-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Beijing Inquiry
5g >95% 5 In Stock Hong Kong Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 5 In Stock Beijing Inquiry

1095010-47-1 / 1-O-tert-butyl 3-O-methyl 5-hydroxypiperidine-1,3-dicarboxylate

1-tert-Butyl 3-methyl 5-hydroxypiperidine-1,3-dicarboxylate | DTXSID10672358 | RefChem:235342

Standard CAS: 1095010-47-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1095010-47-1
Multi CAS
Yes
Molecular Formula
C12H21NO5
Molecular Weight
259.300000
Exact Mass
259.141973
SMILES
CC(C)(C)OC(=O)N1CC(CC(C1)O)C(=O)OC
InChI
InChI=1S/C12H21NO5/c1-12(2,3)18-11(16)13-6-8(10(15)17-4)5-9(14)7-13/h8-9,14H,5-7H2,1-4H3
InChIKey
DFZMPKMSTNKZKL-UHFFFAOYSA-N
Synonyms
1-tert-Butyl 3-methyl 5-hydroxypiperidine-1,3-dicarboxylate DTXSID10672358 RefChem:235342 DTXCID50623107 823-628-4

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.94
TPSA
76.07

LogP / Solubility

WLOGP
0.78
MLOGP
0.69
XLogP3
0.5
Consensus LogP
0.66
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-3.75

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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