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CAS 28210-41-5 Poly(styrene sulfonic acid), Mw ~75,000, 18 wt. % in H2O molecular structure lightbox
CAS RN: 28210-41-5

Poly(styrene sulfonic acid), Mw ~75,000, 18 wt. % in H2O

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20260213 100mg Out of stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20250403 100g In stock Inquiry
Batchno.20260112 500g In stock Inquiry
  • Product code: LINP836393
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28210-41-5 / 2-nitronaphthalen-1-ol

Standard CAS: 28210-41-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
28210-41-5
Multi CAS
Yes
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
InChI
InChI=1S/C10H7NO3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H
InChIKey
MUCCHGOWMZTLHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.27
TPSA
63.37

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.9
Consensus LogP
2.5
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-2.13

Drug-likeness / Medicinal Chemistry

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

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