CAS RN: 2088935-04-8
(R)-1-(5-methylfuran-2-yl)ethanamine 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.20250912 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2088935-04-8
- Purity/Analytical Methods: >99.0%
2088935-04-8 / (1R)-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
Basic Information
CAS
2088935-04-8
Multi CAS
No
Molecular Formula
C7H12ClNO
Molecular Weight
161.630000
Exact Mass
161.060742
SMILES
CC1=CC=C(O1)[C@@H](C)N.Cl
InChI
InChI=1S/C7H11NO.ClH/c1-5-3-4-7(9-5)6(2)8;/h3-4,6H,8H2,1-2H3;1H/t6-;/m1./s1
InChIKey
AXCKNEMYUYMDEP-FYZOBXCZSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.3
TPSA
39.16
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
2.03
Consensus LogP
1.95
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
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)
-2.26
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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