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CAS 89108-46-3 N-(4-Aminobutyl)-2-naphthalenesulfonamide Hydrochloride molecular structure lightbox
CAS RN: 89108-46-3

N-(4-Aminobutyl)-2-naphthalenesulfonamide Hydrochloride

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251214 100mg In stock Shanghai Inquiry
Batchno.20250529 25mg In stock Shanghai, Shandong Inquiry
  • Product code: ICTA2408
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
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89108-46-3 / N-(4-aminobutyl)naphthalene-2-sulfonamide;hydrochloride

Standard CAS: 89108-46-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89108-46-3
Multi CAS
No
Molecular Formula
C14H19CLN2O2S
Molecular Weight
314.800000
Exact Mass
314.085577
InChI
InChI=1S/C14H18N2O2S.ClH/c15-9-3-4-10-16-19(17,18)14-8-7-12-5-1-2-6-13(12)11-14;/h1-2,5-8,11,16H,3-4,9-10,15H2;1H
InChIKey
WYFVKUWCEVMLOL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.67
TPSA
72.19

LogP / Solubility

WLOGP
2.28
MLOGP
2.02
XLogP3
2.28
Consensus LogP
2.19
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
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)
-3.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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