CAS RN: 341968-71-6
(1S,2S)-2-Amino-1-phenylpropyldiphenylphosphine, min. 97%
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS341968-71-6
- Purity/Analytical Methods: >99.0%
341968-71-6 / (1S,2S)-1-diphenylphosphanyl-1-phenylpropan-2-amine
Basic Information
CAS
341968-71-6
Multi CAS
Yes
Molecular Formula
C21H22NP
Molecular Weight
319.400000
Exact Mass
319.148987
InChI
InChI=1S/C21H22NP/c1-17(22)21(18-11-5-2-6-12-18)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21H,22H2,1H3/t17-,21+/m0/s1
InChIKey
JWZAIGGNEGTDMG-LAUBAEHRSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
101.9
TPSA
26.02
LogP / Solubility
WLOGP
4.21
MLOGP
3.72
XLogP3
4.1
Consensus LogP
4.01
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.83
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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