![CAS 5449-21-8 2-([1,1′-biphenyl]-4-yl)-2-oxoacetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5449-21-8.gif)
CAS RN: 5449-21-8
2-([1,1′-biphenyl]-4-yl)-2-oxoacetic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260623 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5449-21-8
- Purity/Analytical Methods: >99.0%
5449-21-8 / 2-oxo-2-(4-phenylphenyl)acetic acid
Basic Information
CAS
5449-21-8
Multi CAS
Yes
Molecular Formula
C14H10O3
Molecular Weight
226.230000
Exact Mass
226.062994
InChI
InChI=1S/C14H10O3/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChIKey
DRFCZRDAUHIVIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.84
TPSA
54.37
LogP / Solubility
WLOGP
2.62
MLOGP
2.31
XLogP3
3
Consensus LogP
2.64
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.31
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.67
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)
-2.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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