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CAS 1186663-43-3 Methyl 5-Hydroxypiperidine-3-carboxylate Hydrochloride molecular structure lightbox
CAS RN: 1186663-43-3

Methyl 5-Hydroxypiperidine-3-carboxylate Hydrochloride

  • Product code: SSC-018579
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1186663-43-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Hong Kong Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g -- 0 Out of Stock Shanghai Inquiry
1g >95% 0 Out of Stock Beijing Inquiry
5g -- 0 Out of Stock Shanghai Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry
10g -- 0 Out of Stock Beijing Inquiry
10g >95% 0 Out of Stock Shenzhen Inquiry

1186663-43-3 / methyl 5-hydroxypiperidine-3-carboxylate;hydrochloride

METHYL 5-HYDROXYPIPERIDINE-3-CARBOXYLATE HYDROCHLORIDE | RefChem:817110 | 834-576-7

Standard CAS: 1186663-43-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1186663-43-3
Multi CAS
No
Molecular Formula
C7H14ClNO3
Molecular Weight
195.640000
Exact Mass
195.066221
SMILES
COC(=O)C1CC(CNC1)O.Cl
InChI
InChI=1S/C7H13NO3.ClH/c1-11-7(10)5-2-6(9)4-8-3-5;/h5-6,8-9H,2-4H2,1H3;1H
InChIKey
YIKHORVNXWLTMA-UHFFFAOYSA-N
Synonyms
METHYL 5-HYDROXYPIPERIDINE-3-CARBOXYLATE HYDROCHLORIDE RefChem:817110 834-576-7 methyl 5-hydroxypiperidine-3-carboxylate;hydrochloride MFCD12198897

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.25
TPSA
58.56

LogP / Solubility

WLOGP
-0.45
MLOGP
-0.4
XLogP3
-0.45
Consensus LogP
-0.43
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.23

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
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 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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

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