[email protected]
CAS 123662-92-0 Iguratimod Impurity 2 molecular structure lightbox
CAS RN: 123662-92-0

Iguratimod Impurity 2

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250701 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS123662-92-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

123662-92-0 / N-[7-(methanesulfonamido)-4-oxo-6-phenoxychromen-3-yl]acetamide

Standard CAS: 123662-92-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123662-92-0
Multi CAS
No
Molecular Formula
C18H16N2O6S
Molecular Weight
388.400000
Exact Mass
388.072907
SMILES
CC(=O)NC1=COC2=CC(=C(C=C2C1=O)OC3=CC=CC=C3)NS(=O)(=O)C
InChI
InChI=1S/C18H16N2O6S/c1-11(21)19-15-10-25-16-9-14(20-27(2,23)24)17(8-13(16)18(15)22)26-12-6-4-3-5-7-12/h3-10,20H,1-2H3,(H,19,21)
InChIKey
PPNKQUDDPQCNJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
2
Molar refractivity
101.77
TPSA
114.71

LogP / Solubility

WLOGP
2.92
MLOGP
2.59
XLogP3
1.4
Consensus LogP
2.3
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us