CAS RN: 1289463-93-9
Bis(2-trifluoromethylphenyl)(3-sulfonatophenyl)phosphine, sodium salt
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250318 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1289463-93-9
- Purity/Analytical Methods: >99.0%
1289463-93-9 / sodium 3-bis[2-(trifluoromethyl)phenyl]phosphanylbenzenesulfonate
Basic Information
CAS
1289463-93-9
Multi CAS
No
Molecular Formula
C20H12F6NaO3PS
Molecular Weight
500.300000
Exact Mass
500.004666
SMILES
C1=CC=C(C(=C1)C(F)(F)F)P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC=CC=C3C(F)(F)F.[Na+]
InChI
InChI=1S/C20H13F6O3PS.Na/c21-19(22,23)15-8-1-3-10-17(15)30(13-6-5-7-14(12-13)31(27,28)29)18-11-4-2-9-16(18)20(24,25)26;/h1-12H,(H,27,28,29);/q;+1/p-1
InChIKey
HBYUDVYSMHBXHD-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
103.12
TPSA
57.2
LogP / Solubility
WLOGP
1.39
MLOGP
1.26
XLogP3
1.39
Consensus LogP
1.35
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 1289514-24-4 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1R,2R)-2-(1-piperidinyl)cyclohexyl]-Thiourea molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1R,2R)-2-(1-piperidinyl)cyclohexyl]-Thiourea
- CAS RN: 1289514-24-4
- Product Code: SSC-036159
-
2-chloro-4-(thiophen-2-yl)pyridine
- CAS RN: 1289555-51-6
- Product Code: starshine_CAS1289555-51-6
- Purity/Analytical method: >99.0%
-
2,5,8-Tris(trimethylstannyl)benzo[1,2-b:3,4-b’:5,6-b”]trithiophene
- CAS RN: 1289556-30-4
- Product Code: starshine_CAS1289556-30-4
- Purity/Analytical method: >99.0%
-
-
(S)-3-(4-Fluoro-phenylsulfanyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1289584-88-8
- Product Code: starshine_CAS1289584-88-8
- Purity/Analytical method: >99.0%
-
4,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine:hydrochloride
- CAS RN: 1289584-90-2
- Product Code: SSC-036166
![CAS 1289514-24-4 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1R,2R)-2-(1-piperidinyl)cyclohexyl]-Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1289514-24-4.gif)
![CAS 1289556-30-4 2,5,8-Tris(trimethylstannyl)benzo[1,2-b:3,4-b’:5,6-b”]trithiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1289556-30-4.gif)
![CAS 1289584-90-2 4,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine:hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1289584-90-2.gif)