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CAS 61255-63-8 6,8-DIHYDROXYPYRENE-1,3-DISULFONIC ACID DISODIUM SALT molecular structure lightbox
CAS RN: 61255-63-8

6,8-DIHYDROXYPYRENE-1,3-DISULFONIC ACID DISODIUM SALT

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250610 25mg In stock Inquiry
Batchno.20251230 5mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250907 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS61255-63-8
  • Purity/Analytical Methods: >99.0%
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61255-63-8 / disodium;6,8-dihydroxypyrene-1,3-disulfonate

Standard CAS: 61255-63-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61255-63-8
Multi CAS
Yes
Molecular Formula
C16H8NA2O8S2
Molecular Weight
438.300000
Exact Mass
437.945598
InChI
InChI=1S/C16H10O8S2.2Na/c17-11-5-12(18)8-2-4-10-14(26(22,23)24)6-13(25(19,20)21)9-3-1-7(11)15(8)16(9)10;;/h1-6,17-18H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2
InChIKey
JISMNCQKTAIERN-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
2
Molar refractivity
89.4
TPSA
154.86

LogP / Solubility

WLOGP
-4.19
MLOGP
-3.66
XLogP3
-4.19
Consensus LogP
-4.01
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.13
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.73
Class (SILICOS-IT)
Highly 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)
-8.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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