CAS RN: 695162-86-8
R-3,3′-Bis(phenyl)-1,1′-binaphthyl-2,2′-diyl hydrogenphosphate
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-179216
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 | Hong Kong | Inquiry |
695162-86-8 / 13-hydroxy-10,16-diphenyl-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
695162-86-8
Multi CAS
No
Molecular Formula
C32H21O4P
Molecular Weight
500.500000
Exact Mass
500.117746
InChI
InChI=1S/C32H21O4P/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/h1-20H,(H,33,34)
InChIKey
RLPAIZCRXBEKDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
148.84
TPSA
55.76
LogP / Solubility
WLOGP
8.87
MLOGP
7.84
XLogP3
8.1
Consensus LogP
8.27
Log S (ESOL)
-9.04
Class (ESOL)
Insoluble
Log S (Ali)
-10.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.51
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)
0.52
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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