CAS RN: 78133-84-3
(2-AMINOBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS78133-84-3
- Purity/Analytical Methods: >99.0%
78133-84-3 / (2-aminophenyl)methyl-triphenylphosphanium bromide
Basic Information
CAS
78133-84-3
Multi CAS
Yes
Molecular Formula
BC25H23PRn
Molecular Weight
448.300000
Exact Mass
447.075150
InChI
InChI=1S/C25H23NP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20,26H2;1H/q+1;/p-1
InChIKey
FBTZMAUPYYNVPM-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
119.71
TPSA
26.02
LogP / Solubility
WLOGP
1.77
MLOGP
1.58
XLogP3
1.77
Consensus LogP
1.71
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
-
Nickel, [2,3-butanedione di(oxime-κN)]dichloro-
- CAS RN: 78147-26-9
- Product Code: SSC-187631
-
-
![CAS 78147-26-9 Nickel, [2,3-butanedione di(oxime-κN)]dichloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/78147-26-9.gif)
