[email protected]
CAS 118206-31-8 5-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one molecular structure lightbox
CAS RN: 118206-31-8

5-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260528 100mg In stock Shanghai Inquiry
Batchno.20250328 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250211 1g In stock Shanghai Inquiry
Batchno.20250322 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS118206-31-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

118206-31-8 / 5-amino-2-methyl-3,4-dihydroisoquinolin-1-one

5-amino-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one | RefChem:532203 | 836-880-5

Standard CAS: 118206-31-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118206-31-8
Multi CAS
No
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
SMILES
CN1CCC2=C(C1=O)C=CC=C2N
InChI
InChI=1S/C10H12N2O/c1-12-6-5-7-8(10(12)13)3-2-4-9(7)11/h2-4H,5-6,11H2,1H3
InChIKey
KZGROFOZYOFEFZ-UHFFFAOYSA-N
Synonyms
5-amino-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one RefChem:532203 836-880-5 5-Amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one MFCD20716953

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.52
TPSA
46.33

LogP / Solubility

WLOGP
0.9
MLOGP
0.79
XLogP3
0.7
Consensus LogP
0.8
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-3.16

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
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