[email protected]
CAS 103441-65-2 7,8-dihydroisoquinolin-5(6H)-one, hydrochloride molecular structure lightbox
CAS RN: 103441-65-2

7,8-dihydroisoquinolin-5(6H)-one, hydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-004991
GET A QUOTE
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
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 103441-65-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry

103441-65-2 / 7,8-dihydro-6H-isoquinolin-5-one;hydrochloride

5,6,7,8-Tetrahydroisoquinolin-5-one Hydrochloride | RefChem:527895 | 832-541-0

Standard CAS: 103441-65-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103441-65-2
Multi CAS
No
Molecular Formula
C9H10ClNO
Molecular Weight
183.630000
Exact Mass
183.045092
SMILES
C1CC2=C(C=CN=C2)C(=O)C1.Cl
InChI
InChI=1S/C9H9NO.ClH/c11-9-3-1-2-7-6-10-5-4-8(7)9;/h4-6H,1-3H2;1H
InChIKey
XIFLOZYAKQKYHN-UHFFFAOYSA-N
Synonyms
5,6,7,8-Tetrahydroisoquinolin-5-one Hydrochloride RefChem:527895 832-541-0 7,8-Dihydroisoquinolin-5(6H)-one hydrochloride 7,8-DIHYDRO-6H-ISOQUINOLIN-5-ONE HYDROCHLORIDE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.75
TPSA
29.96

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
2.02
Consensus LogP
1.94
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
Class (SILICOS-IT)
Moderately 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)
-2.4

Drug-likeness / Medicinal Chemistry

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

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

Customers Also Viewed

Get In Touch

Contact Us