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CAS 71320-77-9 Moclobemide molecular structure lightbox
CAS RN: 71320-77-9

Moclobemide

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11 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250612 100mg In stock Shanghai, Chengdu Inquiry
Batchno.20251012 1g In stock Shanghai Inquiry
Batchno.20250312 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250812 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250205 50mg In stock Shanghai Inquiry
Batchno.20250502 5g In stock Shanghai Inquiry
Batchno.20260121 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251118 100mg Out of stock Inquiry
Batchno.20250116 10mg In stock Inquiry
Batchno.20260406 250mg In stock Inquiry
Batchno.20251205 50mg In stock Inquiry
  • Product code: ICTM2733
  • Purity/Analytical Methods: >98.0%(HPLC)
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71320-77-9 / 4-chloro-N-(2-morpholin-4-ylethyl)benzamide

Standard CAS: 71320-77-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
71320-77-9
Multi CAS
Yes
Molecular Formula
C13H17CLN2O2
Molecular Weight
268.740000
Exact Mass
268.097856
InChI
InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
InChIKey
YHXISWVBGDMDLQ-UHFFFAOYSA-N

Physical Properties

Melting Point
137 °C
Physical Description
Solid
Appearance
Crystals from isopropanol
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.04
TPSA
41.57

LogP / Solubility

WLOGP
1.4
MLOGP
1.24
XLogP3
1.5
Consensus LogP
1.38
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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