![CAS 695162-89-1 R-4-oxide-4-hydroxy-2,6-bis(4-nitrophenyl)- Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/695162-89-1.gif)
CAS RN: 695162-89-1
R-4-oxide-4-hydroxy-2,6-bis(4-nitrophenyl)- Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-179218
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
695162-89-1 / 13-hydroxy-10,16-bis(4-nitrophenyl)-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
695162-89-1
Multi CAS
Yes
Molecular Formula
C32H19N2O8P
Molecular Weight
590.500000
Exact Mass
590.087903
InChI
InChI=1S/C32H19N2O8P/c35-33(36)23-13-9-19(10-14-23)27-17-21-5-1-3-7-25(21)29-30-26-8-4-2-6-22(26)18-28(20-11-15-24(16-12-20)34(37)38)32(30)42-43(39,40)41-31(27)29/h1-18H,(H,39,40)
InChIKey
ZAVIDRFWCFHRJK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
32
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
162.15
TPSA
142.04
LogP / Solubility
WLOGP
8.68
MLOGP
7.69
XLogP3
7.7
Consensus LogP
8.02
Log S (ESOL)
-9.26
Class (ESOL)
Insoluble
Log S (Ali)
-10.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.18
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.16
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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