CAS RN: 4376-72-1
2,2,4,4,6,6-HEXAKIS-(4-BROMO-PHENOXY)-,,-(1,3,5,2,4,6)TRIAZATRIPHOSPHINI NE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250624 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4376-72-1
- Purity/Analytical Methods: >99.0%
4376-72-1 / 2,2,4,4,6,6-hexakis(4-bromophenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Basic Information
CAS
4376-72-1
Multi CAS
Yes
Molecular Formula
C36H24BR6N3O6P3
Molecular Weight
1166.900000
Exact Mass
1166.591670
InChI
InChI=1S/C36H24Br6N3O6P3/c37-25-1-13-31(14-2-25)46-52(47-32-15-3-26(38)4-16-32)43-53(48-33-17-5-27(39)6-18-33,49-34-19-7-28(40)8-20-34)45-54(44-52,50-35-21-9-29(41)10-22-35)51-36-23-11-30(42)12-24-36/h1-24H
InChIKey
LZDZRKDTUHPPOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
54
Aromatic heavy atom count
36
Rotatable bonds
12
H-bond acceptors
9
Molar refractivity
236.66
TPSA
92.46
LogP / Solubility
WLOGP
16.89
MLOGP
14.98
XLogP3
15.9
Consensus LogP
15.92
Log S (ESOL)
-17.42
Class (ESOL)
Insoluble
Log S (Ali)
-21.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-22.7
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)
2.15
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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