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CAS 233608-15-6 1-(furan-2-yl)propan-1-amine hydrochloride molecular structure lightbox
CAS RN: 233608-15-6

1-(furan-2-yl)propan-1-amine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS233608-15-6
  • Purity/Analytical Methods: >99.0%
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233608-15-6 / 1-(furan-2-yl)propan-1-amine;hydrochloride

Standard CAS: 233608-15-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
233608-15-6
Multi CAS
No
Molecular Formula
C7H12ClNO
Molecular Weight
161.630000
Exact Mass
161.060742
SMILES
CCC(C1=CC=CO1)N.Cl
InChI
InChI=1S/C7H11NO.ClH/c1-2-6(8)7-4-3-5-9-7;/h3-6H,2,8H2,1H3;1H
InChIKey
BCNVPMDZPQVRDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.18
TPSA
39.16

LogP / Solubility

WLOGP
2.11
MLOGP
1.85
XLogP3
2.11
Consensus LogP
2.02
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.41
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
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)
-2.21

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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