CAS RN: 1103534-03-7
(R)-1-(diphenylphosphino)-3-phenylpropan-2-aMine
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.20250828 | 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1103534-03-7
- Purity/Analytical Methods: >99.0%
1103534-03-7 / (2R)-1-diphenylphosphanyl-3-phenylpropan-2-amine
(R)-1-(Diphenylphosphino)-3-phenyl-2-propanamine | (alphaR)-alpha-[(Diphenylphosphino)methyl]benzeneethanamine | (2R)-1-diphenylphosphanyl-3-phenylpropan-2-amine
Basic Information
CAS
1103534-03-7
Multi CAS
Yes
Molecular Formula
C21H22NP
Molecular Weight
319.400000
Exact Mass
319.148987
SMILES
C1=CC=C(C=C1)C[C@H](CP(C2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C21H22NP/c22-19(16-18-10-4-1-5-11-18)17-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,19H,16-17,22H2/t19-/m1/s1
InChIKey
SIOSCJGIYDRXMO-LJQANCHMSA-N
Synonyms
(R)-1-(Diphenylphosphino)-3-phenyl-2-propanamine
(alphaR)-alpha-[(Diphenylphosphino)methyl]benzeneethanamine
(2R)-1-diphenylphosphanyl-3-phenylpropan-2-amine
(R)-1-(Diphenylphosphanyl)-3-phenylpropan-2-amine
(|AR)-|A-[(Diphenylphosphino)methyl]benzeneethanamine
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
102.06
TPSA
26.02
LogP / Solubility
WLOGP
3.69
MLOGP
3.26
XLogP3
4.1
Consensus LogP
3.68
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
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
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