CAS RN: 69762-85-2
N-(6-AMINOHEXYL)-5-CHLORO-2-NAPHTHALENESULFONAMIDE HYDROCHLORIDE
Product Availability
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6 package records5 with current stock2 grade groups
- Product code: starshine_CAS69762-85-2
- Purity/Analytical Methods: >99.0%
69762-85-2 / 6-[(5-chloronaphthalen-2-yl)sulfonylamino]hexylazanium chloride
Basic Information
CAS
69762-85-2
Multi CAS
Yes
Molecular Formula
C16H22CL2N2O2S
Molecular Weight
377.300000
Exact Mass
376.077905
InChI
InChI=1S/C16H21ClN2O2S.ClH/c17-16-7-5-6-13-12-14(8-9-15(13)16)22(20,21)19-11-4-2-1-3-10-18;/h5-9,12,19H,1-4,10-11,18H2;1H
InChIKey
FGWDLQXTCSKXSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
8
H-bond acceptors
2
H-bond donors
2
Molar refractivity
90.37
TPSA
73.81
LogP / Solubility
WLOGP
-0.42
MLOGP
-0.35
XLogP3
-0.42
Consensus LogP
-0.4
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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