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CAS 1097199-51-3 3-(5-Oxazolyl)benzaldehyde molecular structure lightbox
CAS RN: 1097199-51-3

3-(5-Oxazolyl)benzaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260325 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-011069
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1097199-51-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 1 In Stock Shenzhen Inquiry
0.25g ≥97% 1 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Shanghai Inquiry

1097199-51-3 / 3-(1,3-oxazol-5-yl)benzaldehyde

3-(5-Oxazolyl)benzaldehyde | 3-(1,3-OXAZOL-5-YL)BENZALDEHYDE | MFCD24686783

Standard CAS: 1097199-51-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1097199-51-3
Multi CAS
No
Molecular Formula
C10H7NO2
Molecular Weight
173.170000
Exact Mass
173.047678
SMILES
C1=CC(=CC(=C1)C2=CN=CO2)C=O
InChI
InChI=1S/C10H7NO2/c12-6-8-2-1-3-9(4-8)10-5-11-7-13-10/h1-7H
InChIKey
ZYPJXECMJZZEAP-UHFFFAOYSA-N
Synonyms
3-(5-Oxazolyl)benzaldehyde 3-(1,3-OXAZOL-5-YL)BENZALDEHYDE MFCD24686783 3-(Oxazol-5-yl)benzaldehyde 3-oxazol-5-ylbenzaldehyde

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.33
TPSA
43.1

LogP / Solubility

WLOGP
2.15
MLOGP
1.89
XLogP3
1.5
Consensus LogP
1.85
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
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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