CAS RN: 1191451-23-6
(R)-3,3′-Bis(3,5-difluorophenyl)-1,1′-binapthyl-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-019625
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 |
1191451-23-6 / 10,16-bis(3,5-difluorophenyl)-13-hydroxy-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
(R)-3,3'-Bis(3,5-difluorophenyl)-1,1'-binapthyl-2,2'-diyl hydrogenphosphate | RefChem:407239 | 811-902-6
Basic Information
CAS
1191451-23-6
Multi CAS
No
Molecular Formula
C32H17F4O4P
Molecular Weight
572.400000
Exact Mass
572.080059
SMILES
C1=CC=C2C(=C1)C=C(C3=C2C4=C(C(=CC5=CC=CC=C54)C6=CC(=CC(=C6)F)F)OP(=O)(O3)O)C7=CC(=CC(=C7)F)F
InChI
InChI=1S/C32H17F4O4P/c33-21-9-19(10-22(34)15-21)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(20-11-23(35)16-24(36)12-20)32(30)40-41(37,38)39-31(27)29/h1-16H,(H,37,38)
InChIKey
FMGXESOBLCQWCH-UHFFFAOYSA-N
Synonyms
(R)-3,3'-Bis(3,5-difluorophenyl)-1,1'-binapthyl-2,2'-diyl hydrogenphosphate
RefChem:407239
811-902-6
(11bS)-2,6-Bis(3,5-difluorophenyl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide
(11BR)-2,6-bis(3,5-difluorophenyl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
32
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
148.68
TPSA
55.76
LogP / Solubility
WLOGP
9.42
MLOGP
8.34
XLogP3
8.5
Consensus LogP
8.75
Log S (ESOL)
-9.77
Class (ESOL)
Insoluble
Log S (Ali)
-11.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.44
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)
0.48
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
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![CAS 1191467-71-6 Iridium(1+), [5,5′-bis(trifluoromethyl)-2,2′-bipyridine-κN1,κN1′]bis[5-fluoro-2-(5-methyl-2-pyridinyl-κN)phenyl-κC]-, (OC-6-33)-, hexafluorophosphate(1-) (1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1191467-71-6.gif)
