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CAS 53197-57-2 4,4′-DIHYDROXY-BIPHENYL-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 53197-57-2

4,4′-DIHYDROXY-BIPHENYL-2-CARBOXYLIC ACID

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250422 100mg In stock Shanghai Inquiry
Batchno.20250625 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250616 1g In stock Shanghai Inquiry
Batchno.20251018 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS53197-57-2
  • Purity/Analytical Methods: >99.0%
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53197-57-2 / 5-hydroxy-2-(4-hydroxyphenyl)benzoic acid

Standard CAS: 53197-57-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53197-57-2
Multi CAS
No
Molecular Formula
C13H10O4
Molecular Weight
230.220000
Exact Mass
230.057909
InChI
InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)11-6-5-10(15)7-12(11)13(16)17/h1-7,14-15H,(H,16,17)
InChIKey
BBGRLYLKUDNCGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
62.17
TPSA
77.76

LogP / Solubility

WLOGP
2.46
MLOGP
2.17
XLogP3
2.2
Consensus LogP
2.28
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

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

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