CAS RN: 23464-97-3
2-(5-PHENYL-2-OXAZOLYL)BENZOIC ACID
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251212 | 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS23464-97-3
- Purity/Analytical Methods: >99.0%
23464-97-3 / 2-(5-phenyl-1,3-oxazol-2-yl)benzoic acid
Basic Information
CAS
23464-97-3
Multi CAS
No
Molecular Formula
C16H11NO3
Molecular Weight
265.260000
Exact Mass
265.073893
SMILES
C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C16H11NO3/c18-16(19)13-9-5-4-8-12(13)15-17-10-14(20-15)11-6-2-1-3-7-11/h1-10H,(H,18,19)
InChIKey
HEIBWPHLFHWDAX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
74.33
TPSA
63.33
LogP / Solubility
WLOGP
3.71
MLOGP
3.27
XLogP3
3.2
Consensus LogP
3.39
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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