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CAS 1373223-75-6 C-(5-Trifluoromethyl-furan-2-yl)-methylamine hydrochloride molecular structure lightbox
CAS RN: 1373223-75-6

C-(5-Trifluoromethyl-furan-2-yl)-methylamine hydrochloride

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260413 50mg / 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1373223-75-6
  • Purity/Analytical Methods: >99.0%
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1373223-75-6 / [5-(trifluoromethyl)furan-2-yl]methanamine;hydrochloride

Standard CAS: 1373223-75-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1373223-75-6
Multi CAS
No
Molecular Formula
C6H7ClF3NO
Molecular Weight
201.570000
Exact Mass
201.016826
SMILES
C1=C(OC(=C1)C(F)(F)F)CN.Cl
InChI
InChI=1S/C6H6F3NO.ClH/c7-6(8,9)5-2-1-4(3-10)11-5;/h1-2H,3,10H2;1H
InChIKey
ZKZRRMAYTDPNCH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.85
TPSA
39.16

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.18
Consensus LogP
2.09
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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