![CAS 1450925-06-0 (R)-3,3′-Bis[4-(1-naphthalenyl)phenyl]-1,1′-binaphthyl-2,2′-diyl Hydrogenphosphate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1450925-06-0(2).gif)
CAS RN: 1450925-06-0
(R)-3,3′-Bis[4-(1-naphthalenyl)phenyl]-1,1′-binaphthyl-2,2′-diyl Hydrogenphosphate
Product Availability
Choose a grade to view its available package options.
7 package records5 with current stock2 grade groups
- Product code: SSC-056463
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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1450925-06-0 / 13-hydroxy-10,16-bis(4-naphthalen-1-ylphenyl)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
Basic Information
CAS
1450925-06-0
Multi CAS
No
Molecular Formula
C52H33O4P
Molecular Weight
752.800000
Exact Mass
752.211647
SMILES
C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)C4=CC5=CC=CC=C5C6=C4OP(=O)(OC7=C6C8=CC=CC=C8C=C7C9=CC=C(C=C9)C1=CC=CC2=CC=CC=C21)O
InChI
InChI=1S/C52H33O4P/c53-57(54)55-51-47(37-27-23-35(24-28-37)43-21-9-15-33-11-1-5-17-41(33)43)31-39-13-3-7-19-45(39)49(51)50-46-20-8-4-14-40(46)32-48(52(50)56-57)38-29-25-36(26-30-38)44-22-10-16-34-12-2-6-18-42(34)44/h1-32H,(H,53,54)
InChIKey
XYFJHIQETCYJEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
57
Aromatic heavy atom count
52
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
234.73
TPSA
55.76
LogP / Solubility
WLOGP
14.51
MLOGP
12.83
XLogP3
13.8
Consensus LogP
13.71
Log S (ESOL)
-14.06
Class (ESOL)
Insoluble
Log S (Ali)
-16.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.99
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8
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