CAS RN: 286454-86-2
(S)-1-(Diphenylphosphino)-2-amino-3,3-dimethylbutane
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock3 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250114 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS286454-86-2
- Purity/Analytical Methods: >99.0%
286454-86-2 / (2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-amine
Basic Information
CAS
286454-86-2
Multi CAS
Yes
Molecular Formula
C18H24NP
Molecular Weight
285.400000
Exact Mass
285.164637
InChI
InChI=1S/C18H24NP/c1-18(2,3)17(19)14-20(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,14,19H2,1-3H3/t17-/m1/s1
InChIKey
SGBNMEAXYLJQRV-QGZVFWFLSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
91.37
TPSA
26.02
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
3.9
Consensus LogP
3.49
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
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