![CAS 1045720-71-5 Phosphonic acid,P,P’-[5′-(4-phosphonophenyl)[1,1′:3′,1”-terphenyl]-4,4”-diyl]bis- molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/59294600.png)
CAS RN: 1045720-71-5
Phosphonic acid,P,P’-[5′-(4-phosphonophenyl)[1,1′:3′,1”-terphenyl]-4,4”-diyl]bis-
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250405 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-006340
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1045720-71-5 / [4-[3,5-bis(4-phosphonophenyl)phenyl]phenyl]phosphonic acid
[4-[3,5-Bis(4-phosphonophenyl)phenyl]phenyl]phosphonic acid | 1,3,5-tris(4-phosphonophenyl)benzene | YSZC887
Basic Information
CAS
1045720-71-5
Multi CAS
No
Molecular Formula
C24H21O9P3
Molecular Weight
546.300000
Exact Mass
546.039843
SMILES
C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)P(=O)(O)O)C4=CC=C(C=C4)P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C24H21O9P3/c25-34(26,27)22-7-1-16(2-8-22)19-13-20(17-3-9-23(10-4-17)35(28,29)30)15-21(14-19)18-5-11-24(12-6-18)36(31,32)33/h1-15H,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)
InChIKey
SJPQASSBALSRNU-UHFFFAOYSA-N
Synonyms
[4-[3,5-Bis(4-phosphonophenyl)phenyl]phenyl]phosphonic acid
1,3,5-tris(4-phosphonophenyl)benzene
YSZC887
SCHEMBL22064852
C24H21O9P3
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
6
Molar refractivity
137.78
TPSA
172.59
LogP / Solubility
WLOGP
3.1
MLOGP
2.77
XLogP3
0.9
Consensus LogP
2.26
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.5
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.85
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
4.5
