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CAS 71501-16-1 4-Sulfo-1,8-naphthalic Anhydride Potassium Salt molecular structure lightbox
CAS RN: 71501-16-1

4-Sulfo-1,8-naphthalic Anhydride Potassium Salt

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251030 100g In stock Shandong, Guangdong Inquiry
Batchno.20251220 25g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250420 500g Out of stock 8-10 business days Inquiry
Batchno.20260615 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: ICTS0904
  • Purity/Analytical Methods: >98.0%(HPLC)
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71501-16-1 / potassium 2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-8-sulfonate

Standard CAS: 71501-16-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71501-16-1
Multi CAS
Yes
Molecular Formula
C12H5KO6S
Molecular Weight
316.330000
Exact Mass
315.944391
InChI
InChI=1S/C12H6O6S.K/c13-11-7-3-1-2-6-9(19(15,16)17)5-4-8(10(6)7)12(14)18-11;/h1-5H,(H,15,16,17);/q;+1/p-1
InChIKey
WOHXJVJXAWXEQP-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
6
Molar refractivity
61.66
TPSA
100.57

LogP / Solubility

WLOGP
-1.94
MLOGP
-1.69
XLogP3
-1.94
Consensus LogP
-1.86
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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