[email protected]
CAS 192767-23-0 N,N-bis(4-methoxybenzyl)-4-bromobenzenesulfonamide molecular structure lightbox
CAS RN: 192767-23-0

N,N-bis(4-methoxybenzyl)-4-bromobenzenesulfonamide

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250805 1g In stock Hebei Inquiry
Batchno.20250811 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS192767-23-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

192767-23-0 / 4-bromo-N,N-bis[(4-methoxyphenyl)methyl]benzenesulfonamide

Standard CAS: 192767-23-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
192767-23-0
Multi CAS
No
Molecular Formula
C22H22BrNO4S
Molecular Weight
476.400000
Exact Mass
475.045290
SMILES
COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C22H22BrNO4S/c1-27-20-9-3-17(4-10-20)15-24(16-18-5-11-21(28-2)12-6-18)29(25,26)22-13-7-19(23)8-14-22/h3-14H,15-16H2,1-2H3
InChIKey
YYLDNQJUMNGLLQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
116.56
TPSA
55.84

LogP / Solubility

WLOGP
4.86
MLOGP
4.31
XLogP3
4.7
Consensus LogP
4.62
Log S (ESOL)
-5.79
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.75
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.18

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