CAS RN: 163831-66-1
(S)-N-BENZYL-1-(1-NAPHTHYL)ETHYLAMINE 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.20260113 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS163831-66-1
- Purity/Analytical Methods: >99.0%
163831-66-1 / (1S)-N-benzyl-1-naphthalen-1-ylethanamine;hydrochloride
Basic Information
CAS
163831-66-1
Multi CAS
No
Molecular Formula
C19H20ClN
Molecular Weight
297.800000
Exact Mass
297.128427
SMILES
C[C@@H](C1=CC=CC2=CC=CC=C21)NCC3=CC=CC=C3.Cl
InChI
InChI=1S/C19H19N.ClH/c1-15(20-14-16-8-3-2-4-9-16)18-13-7-11-17-10-5-6-12-19(17)18;/h2-13,15,20H,14H2,1H3;1H/t15-;/m0./s1
InChIKey
KCLJDAVYFCDIDY-RSAXXLAASA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
92.89
TPSA
12.03
LogP / Solubility
WLOGP
5.11
MLOGP
4.51
XLogP3
5.11
Consensus LogP
4.91
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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