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CAS 926908-04-5 HNHA molecular structure lightbox
CAS RN: 926908-04-5

HNHA

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250411 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS926908-04-5
  • Purity/Analytical Methods: >99.0%
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926908-04-5 / N-hydroxy-7-naphthalen-2-ylsulfanylheptanamide

Standard CAS: 926908-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
926908-04-5
Multi CAS
No
Molecular Formula
C17H21NO2S
Molecular Weight
303.400000
Exact Mass
303.129300
InChI
InChI=1S/C17H21NO2S/c19-17(18-20)9-3-1-2-6-12-21-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,20H,1-3,6,9,12H2,(H,18,19)
InChIKey
KPNNXHVGOKRBEF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.35
Rotatable bonds
8
H-bond acceptors
3
H-bond donors
2
Molar refractivity
87.69
TPSA
49.33

LogP / Solubility

WLOGP
4.39
MLOGP
3.87
XLogP3
4.1
Consensus LogP
4.12
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.23
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
No
Log Kp (skin permeation)
-1.46

Drug-likeness / Medicinal Chemistry

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

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