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CAS 106833-79-8 2-PHENYL-1,3-OXAZOLE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 106833-79-8

2-PHENYL-1,3-OXAZOLE-5-CARBOXYLIC ACID

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260402 100mg In stock Shanghai Inquiry
Batchno.20251228 1g In stock Shanghai Inquiry
Batchno.20250327 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20250604 50mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260321 5g Out of stock Inquiry
  • Product code: SSC-008331
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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: 1g
  • 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 106833-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

106833-79-8 / 2-phenyl-1,3-oxazole-5-carboxylic acid

2-Phenyl-1,3-oxazole-5-carboxylic acid | DTXSID40544993 | RefChem:265158

Standard CAS: 106833-79-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106833-79-8
Multi CAS
No
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
SMILES
C1=CC=C(C=C1)C2=NC=C(O2)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKey
PPQVAHVZIBDHDB-UHFFFAOYSA-N
Synonyms
2-Phenyl-1,3-oxazole-5-carboxylic acid DTXSID40544993 RefChem:265158 DTXCID80495778 852-590-1

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.9
TPSA
63.33

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
1.9
Consensus LogP
1.91
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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