CAS RN: 1955474-17-5
(3S)-1-Phenylpyrrolidin-3-amine hydrochloride
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.20251027 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1955474-17-5
- Purity/Analytical Methods: >99.0%
1955474-17-5 / (3S)-1-phenylpyrrolidin-3-amine;hydrochloride
Basic Information
CAS
1955474-17-5
Multi CAS
No
Molecular Formula
C10H15ClN2
Molecular Weight
198.690000
Exact Mass
198.092376
SMILES
C1CN(C[C@H]1N)C2=CC=CC=C2.Cl
InChI
InChI=1S/C10H14N2.ClH/c11-9-6-7-12(8-9)10-4-2-1-3-5-10;/h1-5,9H,6-8,11H2;1H/t9-;/m0./s1
InChIKey
BLERKSUNNKETEP-FVGYRXGTSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.5
TPSA
29.26
LogP / Solubility
WLOGP
1.65
MLOGP
1.45
XLogP3
1.65
Consensus LogP
1.58
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.76
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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