CAS RN: 1864056-43-8
1-(4-ETHOXYPHENYL)PENTYLAMINE 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.20250609 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1864056-43-8
- Purity/Analytical Methods: >99.0%
1864056-43-8 / 1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
Basic Information
CAS
1864056-43-8
Multi CAS
No
Molecular Formula
C13H22ClNO
Molecular Weight
243.770000
Exact Mass
243.138992
SMILES
CCCCC(C1=CC=C(C=C1)OCC)N.Cl
InChI
InChI=1S/C13H21NO.ClH/c1-3-5-6-13(14)11-7-9-12(10-8-11)15-4-2;/h7-10,13H,3-6,14H2,1-2H3;1H
InChIKey
JRACPWFAZPWYIJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
71.31
TPSA
35.25
LogP / Solubility
WLOGP
3.7
MLOGP
3.26
XLogP3
3.7
Consensus LogP
3.55
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly 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)
-1.58
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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