![CAS 79922-55-7 2,2-Bis[4-(4-maleimidophenoxy)phenyl]propane molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b4807-jpgcontextbwfzdgvyfhjvb3r8mjc1odh8aw1hz2uvanblz3xozjuvadbllzg5mjkxmzy3mzgzmzqvqjq4mdcuanbnfdi4oguxmjvjzjdkytk5odnhm2qwzti4ndjmnzqwntczyzjimwfkodc0zgq3mjjlowy2yzgynwrhzwm2zmu4y2m.jpeg)
CAS RN: 79922-55-7
2,2-Bis[4-(4-maleimidophenoxy)phenyl]propane
Product Availability
Choose a grade to view its available package options.
7 package records6 with current stock2 grade groups
- Product code: ICTB4807
- Purity/Analytical Methods: >98.0%(HPLC)(N)
79922-55-7 / 1-[4-[4-[2-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]pyrrole-2,5-dione
Basic Information
CAS
79922-55-7
Multi CAS
No
Molecular Formula
C35H26N2O6
Molecular Weight
570.600000
Exact Mass
570.179087
InChI
InChI=1S/C35H26N2O6/c1-35(2,23-3-11-27(12-4-23)42-29-15-7-25(8-16-29)36-31(38)19-20-32(36)39)24-5-13-28(14-6-24)43-30-17-9-26(10-18-30)37-33(40)21-22-34(37)41/h3-22H,1-2H3
InChIKey
XAZPKEBWNIUCKF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
24
Fraction Csp3
0.09
Rotatable bonds
8
H-bond acceptors
6
Molar refractivity
161.31
TPSA
93.22
LogP / Solubility
WLOGP
6.46
MLOGP
5.73
XLogP3
6
Consensus LogP
6.06
Log S (ESOL)
-7.33
Class (ESOL)
Insoluble
Log S (Ali)
-8.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.69
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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Bis(3-ethyl-5-methyl-4-maleimidophenyl)methane
- CAS RN: 105391-33-1
- Product Code: ICTB1971
- Purity/Analytical method: >98.0%(N)
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