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CAS 408367-33-9 2-BIPHENYL-3′-ACETYL-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 408367-33-9

2-BIPHENYL-3′-ACETYL-CARBOXYLIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260508 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS408367-33-9
  • Purity/Analytical Methods: >99.0%
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408367-33-9 / 2-(3-acetylphenyl)benzoic acid

Standard CAS: 408367-33-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
408367-33-9
Multi CAS
No
Molecular Formula
C15H12O3
Molecular Weight
240.250000
Exact Mass
240.078644
InChI
InChI=1S/C15H12O3/c1-10(16)11-5-4-6-12(9-11)13-7-2-3-8-14(13)15(17)18/h2-9H,1H3,(H,17,18)
InChIKey
UTXIAQYSGYZOOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.84
TPSA
54.37

LogP / Solubility

WLOGP
3.25
MLOGP
2.87
XLogP3
2.6
Consensus LogP
2.91
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-1.87

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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