![CAS 2410085-45-7 Pyridine, 2-[[[2-[[bis(1,1-dimethylethyl)phosphino]methyl]phenyl]methyl](1,1-dimethylethyl)phosphino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2410085-45-7.gif)
CAS RN: 2410085-45-7
Pyridine, 2-[[[2-[[bis(1,1-dimethylethyl)phosphino]methyl]phenyl]methyl](1,1-dimethylethyl)phosphino]-
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250322 | 100mg | Out of stock | Inquiry | |
| Batchno.20260609 | 1g | Out of stock | Inquiry | |
| Batchno.20260523 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250725 | 25mg | Out of stock | Inquiry | |
| Batchno.20250908 | 50mg | In stock | Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS2410085-45-7
- Purity/Analytical Methods: >99.0%
2410085-45-7 / ditert-butyl-[[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]phosphane
Basic Information
CAS
2410085-45-7
Multi CAS
No
Molecular Formula
C25H39NP2
Molecular Weight
415.500000
Exact Mass
415.255774
SMILES
CC(C)(C)P(CC1=CC=CC=C1CP(C(C)(C)C)C(C)(C)C)C2=CC=CC=N2
InChI
InChI=1S/C25H39NP2/c1-23(2,3)27(22-16-12-13-17-26-22)18-20-14-10-11-15-21(20)19-28(24(4,5)6)25(7,8)9/h10-17H,18-19H2,1-9H3
InChIKey
GAHSDHXCMWPMQY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
130.82
TPSA
12.89
LogP / Solubility
WLOGP
7.77
MLOGP
6.86
XLogP3
4.7
Consensus LogP
6.44
Log S (ESOL)
-7.3
Class (ESOL)
Insoluble
Log S (Ali)
-8.57
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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