[email protected]
CAS 875756-97-1 bisBenziMide H 33342 trihydrochloride molecular structure lightbox
CAS RN: 875756-97-1

bisBenziMide H 33342 trihydrochloride

Product Availability

Choose a grade to view its available package options.

11 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251129 10mg In stock Inquiry
Batchno.20250106 250mg In stock Inquiry
Batchno.20251009 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260607 100mg In stock Shanghai Inquiry
Batchno.20251015 10mg In stock Shanghai Inquiry
Batchno.20251002 1g In stock Shanghai Inquiry
Batchno.20250619 1mg In stock Shanghai Inquiry
Batchno.20260327 250mg In stock Shanghai Inquiry
Batchno.20250917 25mg In stock Shanghai Inquiry
Batchno.20250711 50mg In stock Shanghai Inquiry
Batchno.20260529 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS875756-97-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

875756-97-1 / 2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride

Standard CAS: 875756-97-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
875756-97-1
Multi CAS
Yes
Molecular Formula
C27H31CL3N6O
Molecular Weight
561.900000
Exact Mass
560.162493
InChI
InChI=1S/C27H28N6O.3ClH/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33;;;/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31);3*1H
InChIKey
JABNPSKWVNCGMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
159.24
TPSA
73.07

LogP / Solubility

WLOGP
6.19
MLOGP
5.49
XLogP3
6.19
Consensus LogP
5.96
Log S (ESOL)
-7.37
Class (ESOL)
Insoluble
Log S (Ali)
-8.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-1.75

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us