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CAS 2508-72-7 Antazoline Hydrochloride molecular structure lightbox
CAS RN: 2508-72-7

Antazoline Hydrochloride

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6 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250107 100g Out of stock Inquiry
Batchno.20250411 1g In stock Inquiry
Batchno.20260426 25g Out of stock Inquiry
Batchno.20250509 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250520 25g Out of stock 8-10 business days Inquiry
Batchno.20250910 5g In stock Shanghai Inquiry
  • Product code: ICTA2132
  • Purity/Analytical Methods: >99.0%(T)
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2508-72-7 / N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydrochloride

Standard CAS: 2508-72-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2508-72-7
Multi CAS
No
Molecular Formula
C17H20ClN3
Molecular Weight
301.800000
Exact Mass
301.134575
SMILES
C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3.Cl
InChI
InChI=1S/C17H19N3.ClH/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H
InChIKey
SWKDMSRRIBZZAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
91.49
TPSA
27.63

LogP / Solubility

WLOGP
3.12
MLOGP
2.75
XLogP3
3.12
Consensus LogP
3
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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