CAS RN: 1864074-40-7
1-(furan-2-yl)butan-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.20260227 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1864074-40-7
- Purity/Analytical Methods: >99.0%
1864074-40-7 / 1-(furan-2-yl)butan-1-amine;hydrochloride
Basic Information
CAS
1864074-40-7
Multi CAS
No
Molecular Formula
C8H14ClNO
Molecular Weight
175.650000
Exact Mass
175.076392
SMILES
CCCC(C1=CC=CO1)N.Cl
InChI
InChI=1S/C8H13NO.ClH/c1-2-4-7(9)8-5-3-6-10-8;/h3,5-7H,2,4,9H2,1H3;1H
InChIKey
FQYWSYDFZGRDHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.79
TPSA
39.16
LogP / Solubility
WLOGP
2.5
MLOGP
2.2
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.24
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)
-2.02
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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