[email protected]
CAS 733734-61-7 BenzenesulfonaMide, 2-broMo-4,5-diMethoxy-N-[3-[[(3R)-1-Methyl-3-pyrrolidinyl]oxy]-4-(trifluoroMethyl)phenyl]- molecular structure lightbox
CAS RN: 733734-61-7

BenzenesulfonaMide, 2-broMo-4,5-diMethoxy-N-[3-[[(3R)-1-Methyl-3-pyrrolidinyl]oxy]-4-(trifluoroMethyl)phenyl]-

Product Availability

Choose a grade to view its available package options.

2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250126 10mg Out of stock Inquiry
Batchno.20251214 5mg Out of stock Inquiry
  • Product code: starshine_CAS733734-61-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

733734-61-7 / 2-bromo-4,5-dimethoxy-N-[3-(1-methylpyrrolidin-3-yl)oxy-4-(trifluoromethyl)phenyl]benzenesulfonamide

Standard CAS: 733734-61-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
733734-61-7
Multi CAS
Yes
Molecular Formula
BC20H22N2O5Rf3S
Molecular Weight
539.400000
Exact Mass
538.038490
InChI
InChI=1S/C20H22BrF3N2O5S/c1-26-7-6-13(11-26)31-16-8-12(4-5-14(16)20(22,23)24)25-32(27,28)19-10-18(30-3)17(29-2)9-15(19)21/h4-5,8-10,13,25H,6-7,11H2,1-3H3/t13-/m1/s1
InChIKey
BPOWQJYAMDEAFF-CYBMUJFWSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
116.03
TPSA
77.1

LogP / Solubility

WLOGP
4.37
MLOGP
3.89
XLogP3
4.2
Consensus LogP
4.15
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us