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CAS 304-06-3 3-Phenylsalicylic Acid molecular structure lightbox
CAS RN: 304-06-3

3-Phenylsalicylic Acid

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250131 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: ICTP0226
  • Purity/Analytical Methods: >98.0%(T)
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304-06-3 / 2-hydroxy-3-phenylbenzoic acid

Standard CAS: 304-06-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
304-06-3
Multi CAS
No
Molecular Formula
C13H10O3
Molecular Weight
214.220000
Exact Mass
214.062994
InChI
InChI=1S/C13H10O3/c14-12-10(9-5-2-1-3-6-9)7-4-8-11(12)13(15)16/h1-8,14H,(H,15,16)
InChIKey
ZJWUEJOPKFYFQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.5
TPSA
57.53

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
4.1
Consensus LogP
3.1
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
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)
-2.07

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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