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CAS 5409-58-5 3-(DIMETHYLAMINO)-1-(NAPHTHALEN-1-YL)PROPAN-1-ONE HYDROCHLORIDE molecular structure lightbox
CAS RN: 5409-58-5

3-(DIMETHYLAMINO)-1-(NAPHTHALEN-1-YL)PROPAN-1-ONE HYDROCHLORIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260121 10g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-161628
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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 5409-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

5409-58-5 / 3-(dimethylamino)-1-naphthalen-1-ylpropan-1-one;hydrochloride

Standard CAS: 5409-58-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5409-58-5
Multi CAS
No
Molecular Formula
C15H18CLNO
Molecular Weight
263.760000
Exact Mass
263.107692
InChI
InChI=1S/C15H17NO.ClH/c1-16(2)11-10-15(17)14-9-5-7-12-6-3-4-8-13(12)14;/h3-9H,10-11H2,1-2H3;1H
InChIKey
GUTDWEKYWTXJGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
78.7
TPSA
20.31

LogP / Solubility

WLOGP
3.4
MLOGP
3
XLogP3
3.4
Consensus LogP
3.27
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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