[email protected]
CAS 3808-20-6 N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-p-toluenesulphonamide molecular structure lightbox
CAS RN: 3808-20-6

N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-p-toluenesulphonamide

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250404 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS3808-20-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3808-20-6 / 4-methyl-N-[2-(4-oxo-1,3-benzoxazin-2-yl)phenyl]benzenesulfonamide

Standard CAS: 3808-20-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3808-20-6
Multi CAS
Yes
Molecular Formula
C21H16N2O4S
Molecular Weight
392.400000
Exact Mass
392.083078
InChI
InChI=1S/C21H16N2O4S/c1-14-10-12-15(13-11-14)28(25,26)23-18-8-4-2-6-16(18)21-22-20(24)17-7-3-5-9-19(17)27-21/h2-13,23H,1H3
InChIKey
LLJQYLKNKHDIOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
22
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
107.7
TPSA
89.27

LogP / Solubility

WLOGP
3.96
MLOGP
3.51
XLogP3
3.8
Consensus LogP
3.76
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.98
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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us