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CAS 603-72-5 1,8-NAPHTHOSULTAM molecular structure lightbox
CAS RN: 603-72-5

1,8-NAPHTHOSULTAM

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3 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250611 1g In stock Inquiry
Batchno.20260618 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260321 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS603-72-5
  • Purity/Analytical Methods: >99.0%
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603-72-5 / 2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide

Standard CAS: 603-72-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
603-72-5
Multi CAS
Yes
Molecular Formula
C10H7NO2S
Molecular Weight
205.230000
Exact Mass
205.019750
InChI
InChI=1S/C10H7NO2S/c12-14(13)9-6-2-4-7-3-1-5-8(11-14)10(7)9/h1-6,11H
InChIKey
HOBYPSNNFBRLIX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.76
TPSA
46.17

LogP / Solubility

WLOGP
1.95
MLOGP
1.72
XLogP3
1.8
Consensus LogP
1.82
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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