![CAS 874013-62-4 Bis{[1-(2R,5R)-2,5-dimethylphospholanyl]-[2-(2R,5R)-2,5-dimethylphospholanyl-1-oxide]benzene}copper(I) trifluoromethanesulfonate, min. 97% molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/874013-62-4.gif)
CAS RN: 874013-62-4
Bis{[1-(2R,5R)-2,5-dimethylphospholanyl]-[2-(2R,5R)-2,5-dimethylphospholanyl-1-oxide]benzene}copper(I) trifluoromethanesulfonate, min. 97%
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250510 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250522 | 1g | Out of stock | Inquiry | ||
| Batchno.20250705 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251230 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20251103 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS874013-62-4
- Purity/Analytical Methods: >99.0%
874013-62-4 / copper(1+);bis((2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethyl-1lambda5-phospholane 1-oxide);trifluoromethanesulfonate
Basic Information
CAS
874013-62-4
Multi CAS
Yes
Molecular Formula
C38F3H56O5P4SU
Molecular Weight
857.300000
Exact Mass
856.204701
InChI
InChI=1S/2C18H28OP2.CHF3O3S.Cu/c2*1-13-9-10-14(2)20(13)17-7-5-6-8-18(17)21(19)15(3)11-12-16(21)4;2-1(3,4)8(5,6)7;/h2*5-8,13-16H,9-12H2,1-4H3;(H,5,6,7);/q;;;+1/p-1/t2*13-,14-,15-,16-;;/m11../s1
InChIKey
JGVWSKIVCRMXGT-YCIFJGFLSA-M
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
12
Fraction Csp3
0.68
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
208.86
TPSA
91.34
LogP / Solubility
WLOGP
9.9
MLOGP
8.79
XLogP3
9.9
Consensus LogP
9.53
Log S (ESOL)
-11.3
Class (ESOL)
Insoluble
Log S (Ali)
-13.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.93
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)
-0.92
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
9.5
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