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CAS 79127-24-5 A-7 HYDROCHLORIDE molecular structure lightbox
CAS RN: 79127-24-5

A-7 HYDROCHLORIDE

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  • Product code: starshine_CAS79127-24-5
  • Purity/Analytical Methods: >99.0%
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79127-24-5 / N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide;hydrochloride

Standard CAS: 79127-24-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79127-24-5
Multi CAS
Yes
Molecular Formula
C20H30CL2N2O2S
Molecular Weight
433.400000
Exact Mass
432.140505
InChI
InChI=1S/C20H29ClN2O2S.ClH/c21-19-13-9-12-18-17(19)11-10-14-20(18)26(24,25)23-16-8-6-4-2-1-3-5-7-15-22;/h9-14,23H,1-8,15-16,22H2;1H
InChIKey
XDJCAQBTSCRBHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
12
H-bond acceptors
3
H-bond donors
2
Molar refractivity
117.38
TPSA
72.19

LogP / Solubility

WLOGP
5.27
MLOGP
4.67
XLogP3
5.27
Consensus LogP
5.07
Log S (ESOL)
-5.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
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)
-1.62

Drug-likeness / Medicinal Chemistry

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

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