![CAS 494199-75-6 2-[Bis(1,1-dimethylethyl)phosphino]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/494199-75-6.png)
CAS RN: 494199-75-6
2-[Bis(1,1-dimethylethyl)phosphino]pyridine
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.20250912 | 20mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB889707
494199-75-6 / ditert-butyl(pyridin-2-yl)phosphane
Basic Information
CAS
494199-75-6
Multi CAS
No
Molecular Formula
C13H22NP
Molecular Weight
223.290000
Exact Mass
223.148987
InChI
InChI=1S/C13H22NP/c1-12(2,3)15(13(4,5)6)11-9-7-8-10-14-11/h7-10H,1-6H3
InChIKey
MGIZZEPNUYUZDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
70.3
TPSA
12.89
LogP / Solubility
WLOGP
3.79
MLOGP
3.33
XLogP3
2.7
Consensus LogP
3.27
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39
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
1.5
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