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CAS 1104460-09-4 (2R,4R)-Methyl 4-hydroxypiperidine-2-carboxylate hydrochloride molecular structure lightbox
CAS RN: 1104460-09-4

(2R,4R)-Methyl 4-hydroxypiperidine-2-carboxylate hydrochloride

  • Product code: SSC-011515
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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, 0.1g, 0.25g
  • 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 1104460-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.1g -- 2 In Stock Beijing Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Beijing Inquiry

1104460-09-4 / methyl (2R,4R)-4-hydroxypiperidine-2-carboxylate;hydrochloride

Methyl 4-hydroxypiperidine-2-carboxylate hydrochloride | methyl 4-hydroxypiperidine-2-carboxylate;hydrochloride | MFCD18071003

Standard CAS: 1104460-09-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1104460-09-4
Multi CAS
Yes
Molecular Formula
C7H14ClNO3
Molecular Weight
195.640000
Exact Mass
195.066221
SMILES
COC(=O)[C@H]1C[C@@H](CCN1)O.Cl
InChI
InChI=1S/C7H13NO3.ClH/c1-11-7(10)6-4-5(9)2-3-8-6;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6-;/m1./s1
InChIKey
ZZQYALUPYHIFSA-KGZKBUQUSA-N
Synonyms
Methyl 4-hydroxypiperidine-2-carboxylate hydrochloride methyl 4-hydroxypiperidine-2-carboxylate;hydrochloride MFCD18071003 SCHEMBL2924933 DTXSID30697644

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
46.3
TPSA
58.56

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.27
XLogP3
-0.31
Consensus LogP
-0.3
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
Class (SILICOS-IT)
Very 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)
-4.13

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, 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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