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CAS 120635-25-8 Mofegiline hydrochloride molecular structure lightbox
CAS RN: 120635-25-8

Mofegiline hydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250416 5mg / 10mg / 50mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS120635-25-8
  • Purity/Analytical Methods: >99.0%
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120635-25-8 / (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride

Mofegiline hydrochloride | Mofegiline HCl | MDL-72974A

Standard CAS: 120635-25-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
120635-25-8
Multi CAS
Yes
Molecular Formula
C11H14ClF2N
Molecular Weight
233.680000
Exact Mass
233.078284
SMILES
C1=CC(=CC=C1CC/C(=C\F)/CN)F.Cl
InChI
InChI=1S/C11H13F2N.ClH/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9;/h3-7H,1-2,8,14H2;1H/b10-7+;
InChIKey
QUCNNQHLIHGBIA-HCUGZAAXSA-N
Synonyms
Mofegiline hydrochloride Mofegiline HCl MDL-72974A Mofegiline hydrochloride [USAN] MDL 72,974A

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.21
TPSA
26.02

LogP / Solubility

WLOGP
2.99
MLOGP
2.64
XLogP3
2.99
Consensus LogP
2.87
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly 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)
-2.02

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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