CAS RN: 521-78-8

TRIMIPRAMINE MALEATE SALT

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250502 100mg In stock Shanghai Inquiry
Batchno.20250516 100mg In stock Shanghai, Shandong Inquiry
Batchno.20251024 10g In stock Shanghai Inquiry
Batchno.20251213 1g In stock Shanghai Inquiry
Batchno.20250303 250mg In stock Shanghai Inquiry
Batchno.20260511 500mg Out of stock 5-7 business days Inquiry
Batchno.20250222 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS521-78-8
  • Purity/Analytical Methods: >99.0%
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521-78-8 / but-2-enedioic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine

Standard CAS: 521-78-8 Multi CAS: Yes

Basic Information

CAS
521-78-8
Multi CAS
Yes
Molecular Formula
C24H30N2O4
Molecular Weight
410.500000
Exact Mass
410.220557
InChI
InChI=1S/C20H26N2.C4H4O4/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;5-3(6)1-2-4(7)8/h4-11,16H,12-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)
InChIKey
YDGHCKHAXOUQOS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
119.43
TPSA
81.08

LogP / Solubility

WLOGP
3.83
MLOGP
3.4
XLogP3
3.83
Consensus LogP
3.69
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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