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CAS 887256-40-8 5-amino-2-hydroxy-4-sulfobiphenyl-3-carboxylicacid molecular structure lightbox
CAS RN: 887256-40-8

5-amino-2-hydroxy-4-sulfobiphenyl-3-carboxylicacid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250826 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS887256-40-8
  • Purity/Analytical Methods: >99.0%
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887256-40-8 / 5-amino-2-hydroxy-3-(4-sulfophenyl)benzoic acid

Standard CAS: 887256-40-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887256-40-8
Multi CAS
No
Molecular Formula
C13H11NO6S
Molecular Weight
309.300000
Exact Mass
309.030708
InChI
InChI=1S/C13H11NO6S/c14-8-5-10(12(15)11(6-8)13(16)17)7-1-3-9(4-2-7)21(18,19)20/h1-6,15H,14H2,(H,16,17)(H,18,19,20)
InChIKey
JFHCLENXDPFHHY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
4
Molar refractivity
74.73
TPSA
137.92

LogP / Solubility

WLOGP
1.59
MLOGP
1.41
XLogP3
1.3
Consensus LogP
1.43
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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