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CAS 27928-00-3 8-Hydroxypyrene-1,3,6-trisulfonicacidtrisodiumsalt molecular structure lightbox
CAS RN: 27928-00-3

8-Hydroxypyrene-1,3,6-trisulfonicacidtrisodiumsalt

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250730 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS27928-00-3
  • Purity/Analytical Methods: >99.0%
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27928-00-3 / 8-hydroxypyrene-1,3,6-trisulfonic acid

Standard CAS: 27928-00-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27928-00-3
Multi CAS
Yes
Molecular Formula
C16H10O10S3
Molecular Weight
458.400000
Exact Mass
457.943610
InChI
InChI=1S/C16H10O10S3/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26)
InChIKey
OBJOZRVSMLPASY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
4
Molar refractivity
101.25
TPSA
183.34

LogP / Solubility

WLOGP
2.03
MLOGP
1.82
XLogP3
0.9
Consensus LogP
1.58
Log S (ESOL)
-4.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08

Drug-likeness / Medicinal Chemistry

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

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