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CAS 23485-68-9 3-(5-PHENYL-1,3-OXAZOL-2-YL)PROPANOIC ACID molecular structure lightbox
CAS RN: 23485-68-9

3-(5-PHENYL-1,3-OXAZOL-2-YL)PROPANOIC ACID

  • Product code: SSC-113347
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 23485-68-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

23485-68-9 / 3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid

Standard CAS: 23485-68-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23485-68-9
Multi CAS
No
Molecular Formula
C12H11NO3
Molecular Weight
217.220000
Exact Mass
217.073893
SMILES
C1=CC=C(C=C1)C2=CN=C(O2)CCC(=O)O
InChI
InChI=1S/C12H11NO3/c14-12(15)7-6-11-13-8-10(16-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChIKey
GFVIYHMHRMUSLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.9
TPSA
63.33

LogP / Solubility

WLOGP
2.36
MLOGP
2.08
XLogP3
1.8
Consensus LogP
2.08
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.37

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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