CAS RN: 1416133-22-6
(1S,2S)-1,2-diphenyl-1-Pyrrolidineethanamine
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.20251002 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1416133-22-6
- Purity/Analytical Methods: >99.0%
1416133-22-6 / (1S,2S)-1,2-diphenyl-2-pyrrolidin-1-ylethanamine
Basic Information
CAS
1416133-22-6
Multi CAS
No
Molecular Formula
C18H22N2
Molecular Weight
266.400000
Exact Mass
266.178299
SMILES
C1CCN(C1)[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N
InChI
InChI=1S/C18H22N2/c19-17(15-9-3-1-4-10-15)18(20-13-7-8-14-20)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14,19H2/t17-,18-/m0/s1
InChIKey
LWMFIMXQOJYJRC-ROUUACIJSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
83.36
TPSA
29.26
LogP / Solubility
WLOGP
3.52
MLOGP
3.11
XLogP3
2.9
Consensus LogP
3.18
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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