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CAS 120013-39-0 5,6-Dimethoxy-2-(4-piperidylmethyl)-1-indanone Hydrochloride molecular structure lightbox
CAS RN: 120013-39-0

5,6-Dimethoxy-2-(4-piperidylmethyl)-1-indanone Hydrochloride

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260214 1g In stock Inquiry
Batchno.20251124 25g In stock Inquiry
Batchno.20250422 5g In stock Inquiry
  • Product code: SSC-020823
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 120013-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

120013-39-0 / 5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;hydrochloride

AZ9ED2QG9Q | 4-((5,6-Dimethoxy-1-oxoindan-2-yl)methyl)piperidine hydrochloride | 4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidine hydrochloride

Standard CAS: 120013-39-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120013-39-0
Multi CAS
Yes
Molecular Formula
C17H24ClNO3
Molecular Weight
325.800000
Exact Mass
325.144471
SMILES
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCNCC3)OC.Cl
InChI
InChI=1S/C17H23NO3.ClH/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2;/h9-11,13,18H,3-8H2,1-2H3;1H
InChIKey
WOZXDQQCMZIQEG-UHFFFAOYSA-N
Synonyms
AZ9ED2QG9Q 4-((5,6-Dimethoxy-1-oxoindan-2-yl)methyl)piperidine hydrochloride 4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidine hydrochloride RefChem:1069661 5,6-Dimethoxy-2-(4-piperidinylmethyl)-1-indanone hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.53
TPSA
47.56

LogP / Solubility

WLOGP
2.87
MLOGP
2.54
XLogP3
2.87
Consensus LogP
2.76
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly 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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (75%): 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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