CAS RN: 28322-40-9
ISOAMYLTRIPHENYLPHOSPHONIUM BROMIDE
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: starshine_CAS28322-40-9
- Purity/Analytical Methods: >99.0%
28322-40-9 / 3-methylbutyl(triphenyl)phosphanium bromide
Basic Information
CAS
28322-40-9
Multi CAS
Yes
Molecular Formula
C23H26BrP
Molecular Weight
413.300000
Exact Mass
412.095550
InChI
InChI=1S/C23H26P.BrH/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H/q+1;/p-1
InChIKey
GZLGTVRDLCJQTO-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
109.47
TPSA
0.0000
LogP / Solubility
WLOGP
2.03
MLOGP
1.81
XLogP3
2.03
Consensus LogP
1.96
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
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
2.5
Customers Also Viewed
-
5,8-DICHLORO-1,4-DIHYDROXYANTHRAQUINONE
- CAS RN: 2832-30-6
- Product Code: starshine_CAS2832-30-6
- Purity/Analytical method: >99.0%
-
-
IVHD-valtrate
- CAS RN: 28325-56-6
- Product Code: starshine_CAS28325-56-6
- Purity/Analytical method: >99.0%
-
3-amino-5-(aminosulphonyl)-4-phenoxybenzoic acid
- CAS RN: 28328-54-3
- Product Code: starshine_CAS28328-54-3
- Purity/Analytical method: >99.0%
-
-
5-ETHOXY-5H-FURAN-2-ONE
- CAS RN: 2833-30-9
- Product Code: starshine_CAS2833-30-9
- Purity/Analytical method: >99.0%
