![CAS 791616-65-4 R-4-oxide-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-2,6-diphenyl-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/791616-65-4.gif)
CAS RN: 791616-65-4
R-4-oxide-8,9,10,11,12,13,14,15-octahydro-4-hydroxy-2,6-diphenyl-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-188390
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 | Shenzhen | Inquiry |
791616-65-4 / 13-hydroxy-10,16-diphenyl-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide
Basic Information
CAS
791616-65-4
Multi CAS
No
Molecular Formula
C32H29O4P
Molecular Weight
508.500000
Exact Mass
508.180346
InChI
InChI=1S/C32H29O4P/c33-37(34)35-31-27(21-11-3-1-4-12-21)19-23-15-7-9-17-25(23)29(31)30-26-18-10-8-16-24(26)20-28(32(30)36-37)22-13-5-2-6-14-22/h1-6,11-14,19-20H,7-10,15-18H2,(H,33,34)
InChIKey
ASVMFGGAAQVJLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
147.12
TPSA
55.76
LogP / Solubility
WLOGP
8.32
MLOGP
7.36
XLogP3
8.3
Consensus LogP
7.99
Log S (ESOL)
-8.58
Class (ESOL)
Insoluble
Log S (Ali)
-9.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.11
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)
0.08
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
6
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