CAS RN: 1810074-74-8
(S)-1-(5-Methylfuran-2-yl)propan-1-amine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251218 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1810074-74-8
- Purity/Analytical Methods: >99.0%
1810074-74-8 / (1S)-1-(5-methylfuran-2-yl)propan-1-amine;hydrochloride
Basic Information
CAS
1810074-74-8
Multi CAS
No
Molecular Formula
C8H14ClNO
Molecular Weight
175.650000
Exact Mass
175.076392
SMILES
CC[C@@H](C1=CC=C(O1)C)N.Cl
InChI
InChI=1S/C8H13NO.ClH/c1-3-7(9)8-5-4-6(2)10-8;/h4-5,7H,3,9H2,1-2H3;1H/t7-;/m0./s1
InChIKey
URFQDTRFLKESTD-FJXQXJEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.91
TPSA
39.16
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2.42
Consensus LogP
2.32
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.75
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-2.07
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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