[email protected]
CAS 1914-20-1 N-Methoxyphthalimide molecular structure lightbox
CAS RN: 1914-20-1

N-Methoxyphthalimide

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251218 100mg / 250mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1914-20-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1914-20-1 / 2-methoxyisoindole-1,3-dione

Standard CAS: 1914-20-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1914-20-1
Multi CAS
No
Molecular Formula
C9H7NO3
Molecular Weight
177.160000
Exact Mass
177.042593
SMILES
CON1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C9H7NO3/c1-13-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey
VTULOVFSIMMKKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
43.95
TPSA
46.61

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
1.4
Consensus LogP
0.99
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-3.2

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

Customers Also Viewed

Get In Touch

Contact Us