CAS RN: 1864057-25-9
1-(3-METHOXYPHENYL)BUTAN-1-AMINE
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.20260117 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1864057-25-9
- Purity/Analytical Methods: >99.0%
1864057-25-9 / 1-(3-methoxyphenyl)butan-1-amine;hydrochloride
Basic Information
CAS
1864057-25-9
Multi CAS
No
Molecular Formula
C11H18ClNO
Molecular Weight
215.720000
Exact Mass
215.107692
SMILES
CCCC(C1=CC(=CC=C1)OC)N.Cl
InChI
InChI=1S/C11H17NO.ClH/c1-3-5-11(12)9-6-4-7-10(8-9)13-2;/h4,6-8,11H,3,5,12H2,1-2H3;1H
InChIKey
WTFMETJJVZLOCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.08
TPSA
35.25
LogP / Solubility
WLOGP
2.92
MLOGP
2.57
XLogP3
2.92
Consensus LogP
2.8
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly 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)
-1.96
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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