CAS RN: 2287236-52-4
(1S)-1-(FURAN-3-YL)ETHAN-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.20260205 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2287236-52-4
- Purity/Analytical Methods: >99.0%
2287236-52-4 / 1-(furan-3-yl)ethanamine;hydrochloride
Basic Information
CAS
2287236-52-4
Multi CAS
No
Molecular Formula
C6H10ClNO
Molecular Weight
147.600000
Exact Mass
147.045092
SMILES
CC(C1=COC=C1)N.Cl
InChI
InChI=1S/C6H9NO.ClH/c1-5(7)6-2-3-8-4-6;/h2-5H,7H2,1H3;1H/t5-;/m0./s1
InChIKey
VAUYLMGGLPAIED-JEDNCBNOSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.56
TPSA
39.16
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
1.72
Consensus LogP
1.65
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
Class (SILICOS-IT)
Moderately 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)
-2.4
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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