CAS RN: 69322-61-8
Hexa(p-carboxyphenoxy)cyclotriphosphazene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250803 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS69322-61-8
- Purity/Analytical Methods: >99.0%
69322-61-8 / 4-[[2,4,4,6,6-pentakis(4-carboxyphenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]benzoic acid
Basic Information
CAS
69322-61-8
Multi CAS
Yes
Molecular Formula
C42H30N3O18P3
Molecular Weight
957.600000
Exact Mass
957.073722
InChI
InChI=1S/C42H30N3O18P3/c46-37(47)25-1-13-31(14-2-25)58-44-64(60-33-17-5-27(6-18-33)39(50)51)43-66(62-35-21-9-29(10-22-35)41(54)55,63-36-23-11-30(12-24-36)42(56)57)45(59-32-15-3-26(4-16-32)38(48)49)65(44)61-34-19-7-28(8-20-34)40(52)53/h1-24H,(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)
InChIKey
DNUVHNMSYKXWOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
66
Aromatic heavy atom count
36
Rotatable bonds
18
H-bond acceptors
15
H-bond donors
6
Molar refractivity
232.22
TPSA
316.26
LogP / Solubility
WLOGP
10.5
MLOGP
9.33
XLogP3
8.9
Consensus LogP
9.58
Log S (ESOL)
-11.61
Class (ESOL)
Insoluble
Log S (Ali)
-14.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.11
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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