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CAS 174184-13-5 1-Piperidinecarboxylic acid, 3-broMo-4-oxo-, phenylMethyl ester molecular structure lightbox
CAS RN: 174184-13-5

1-Piperidinecarboxylic acid, 3-broMo-4-oxo-, phenylMethyl ester

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260209 10g In stock Shanghai Inquiry
Batchno.20250424 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250526 250mg In stock Shanghai, Chengdu Inquiry
Batchno.20251225 25g In stock Shanghai Inquiry
Batchno.20250130 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS174184-13-5
  • Purity/Analytical Methods: >99.0%
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174184-13-5 / benzyl 3-bromo-4-oxopiperidine-1-carboxylate

Standard CAS: 174184-13-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
174184-13-5
Multi CAS
No
Molecular Formula
C13H14BrNO3
Molecular Weight
312.160000
Exact Mass
311.015710
SMILES
C1CN(CC(C1=O)Br)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14BrNO3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKey
HIJNDCHNTWYMKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
70.54
TPSA
46.61

LogP / Solubility

WLOGP
2.36
MLOGP
2.09
XLogP3
2
Consensus LogP
2.15
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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