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CAS 50-48-6 Amitriptyline molecular structure lightbox
CAS RN: 50-48-6

Amitriptyline

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5 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250805 100mg / 500mg / 1g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
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Batchno.20260510 100mg In stock Inquiry
Batchno.20250619 25mg In stock Inquiry
Batchno.20250105 500mg Out of stock Inquiry
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Batchno.20260309 1ml In stock Inquiry
  • Product code: LIND915963
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50-48-6 / N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

Standard CAS: 50-48-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
50-48-6
Multi CAS
Yes
Molecular Formula
C20H23N
Molecular Weight
277.400000
Exact Mass
277.183050
InChI
InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
InChIKey
KRMDCWKBEZIMAB-UHFFFAOYSA-N

Physical Properties

Melting Point
196-197 196 - 197 °C
Boiling Point
410.26°C (rough estimate)
Physical Description
Solid
Appearance
Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
90.54
TPSA
3.24

LogP / Solubility

WLOGP
4.17
MLOGP
3.68
XLogP3
5
Consensus LogP
4.28
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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