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CAS 1426944-49-1 HBX 19818 molecular structure lightbox
CAS RN: 1426944-49-1

HBX 19818

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 2mg / 5mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250628 1ml In stock Inquiry
  • Product code: starshine_CAS1426944-49-1
  • Purity/Analytical Methods: >99.0%
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1426944-49-1 / N-[3-[benzyl(methyl)amino]propyl]-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide

Standard CAS: 1426944-49-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426944-49-1
Multi CAS
No
Molecular Formula
C25H28ClN3O
Molecular Weight
422.000000
Exact Mass
421.192090
SMILES
CN(CCCNC(=O)C1=CC2=C(C=C1)N=C3CCCCC3=C2Cl)CC4=CC=CC=C4
InChI
InChI=1S/C25H28ClN3O/c1-29(17-18-8-3-2-4-9-18)15-7-14-27-25(30)19-12-13-23-21(16-19)24(26)20-10-5-6-11-22(20)28-23/h2-4,8-9,12-13,16H,5-7,10-11,14-15,17H2,1H3,(H,27,30)
InChIKey
ZCALMLVWZSQGGR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
123.12
TPSA
45.23

LogP / Solubility

WLOGP
5.02
MLOGP
4.44
XLogP3
5.2
Consensus LogP
4.89
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

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

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