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CAS 1159825-30-5 2-FORMYLPIPERIDINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1159825-30-5

2-FORMYLPIPERIDINE HYDROCHLORIDE

  • Product code: SSC-015912
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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
  • 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 1159825-30-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

1159825-30-5 / piperidine-2-carbaldehyde;hydrochloride

Piperidine-2-carbaldehyde hydrochloride | 2-Formylpiperidine HCl | 2-FORMYLPIPERIDINE HYDROCHLORIDE

Standard CAS: 1159825-30-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159825-30-5
Multi CAS
No
Molecular Formula
C6H12ClNO
Molecular Weight
149.620000
Exact Mass
149.060742
SMILES
C1CCNC(C1)C=O.Cl
InChI
InChI=1S/C6H11NO.ClH/c8-5-6-3-1-2-4-7-6;/h5-7H,1-4H2;1H
InChIKey
SMIVUFDJLJNXOS-UHFFFAOYSA-N
Synonyms
Piperidine-2-carbaldehyde hydrochloride 2-Formylpiperidine HCl 2-FORMYLPIPERIDINE HYDROCHLORIDE MFCD09800467 piperidine-2-carbaldehyde;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.95
TPSA
29.1

LogP / Solubility

WLOGP
0.75
MLOGP
0.65
XLogP3
0.75
Consensus LogP
0.72
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
Class (SILICOS-IT)
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)
-3.1

Drug-likeness / Medicinal Chemistry

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

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