CAS RN: 39110-83-3
1-(naphthalen-1-yl)pentan-1-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.20260610 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS39110-83-3
- Purity/Analytical Methods: >99.0%
39110-83-3 / 1-naphthalen-1-ylpentan-1-amine;hydrochloride
Basic Information
CAS
39110-83-3
Multi CAS
No
Molecular Formula
C15H20CLN
Molecular Weight
249.780000
Exact Mass
249.128427
InChI
InChI=1S/C15H19N.ClH/c1-2-3-11-15(16)14-10-6-8-12-7-4-5-9-13(12)14;/h4-10,15H,2-3,11,16H2,1H3;1H
InChIKey
SQOKMTLKEVYJJX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.65
TPSA
26.02
LogP / Solubility
WLOGP
4.45
MLOGP
3.92
XLogP3
4.45
Consensus LogP
4.27
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- Product Code: starshine_CAS39122-38-8
- Purity/Analytical method: >99.0%
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